3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[(4-ethoxyphenyl)methyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(4-ethoxybenzyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide Formula: C26H35N8O3+ MolecularWeight: 507.6079

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OCC)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OCC)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C26H34N8O3/c1-3-10-30-26(36)32-14-15-34(21(17-32)16-23(27)35,18-20-5-7-22(8-6-20)37-4-2)24-9-11-29-25(31-24)33-13-12-28-19-33/h5-9,11-13,19,21H,3-4,10,14-18H2,1-2H3,(H2-,27,30,35,36)/p+1