3-(2-azanyl-2-oxidanylidene-ethyl)-4-[1-(3-chloranyl-4-methoxy-phenyl)ethyl]-4-[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-N-propyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[1-(3-chloranyl-4-methoxy-phenyl)ethyl]-4-[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-[1-(3-chloro-4-methoxy-phenyl)ethyl]-4-[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[1-(3-chloro-4-methoxyphenyl)ethyl]-4-[2-(1-imidazolylmethyl)-4-pyrimidinyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[1-(3-chloro-4-methoxyphenyl)ethyl]-4-[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-[1-(3-chloro-4-methoxy-phenyl)ethyl]-4-[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-N-propyl-piperazin-4-ium-1-carboxamide Formula: C27H36ClN8O3+ MolecularWeight: 556.07954

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=NC(=NC=C2)CN3C=CN=C3)C(C)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=NC(=NC=C2)CN3C=CN=C3)C(C)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C27H35ClN8O3/c1-4-8-32-27(38)35-12-13-36(21(16-35)15-24(29)37,19(2)20-5-6-23(39-3)22(28)14-20)26-7-9-31-25(33-26)17-34-11-10-30-18-34/h5-7,9-11,14,18-19,21H,4,8,12-13,15-17H2,1-3H3,(H2-,29,32,37,38)/p+1