3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[1-(4-methylphenoxy)ethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C30H35N8O3+ MolecularWeight: 555.6507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=NC(=NC(=C4)C)N5C=CN=C5

Isomeric SMILES

CC1=CC=C(C=C1)OC(C)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=NC(=NC(=C4)C)N5C=CN=C5

InChI

InChI=1S/C30H34N8O3/c1-21-9-11-26(12-10-21)41-23(3)38(28-17-22(2)33-29(35-28)37-14-13-32-20-37)16-15-36(19-25(38)18-27(31)39)30(40)34-24-7-5-4-6-8-24/h4-14,17,20,23,25H,15-16,18-19H2,1-3H3,(H2-,31,34,39,40)/p+1