3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-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-yl-6-propan-2-yl-pyrimidin-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-yl-6-isopropyl-pyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[(4-ethoxyphenyl)methyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(4-ethoxybenzyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide Formula: C29H41N8O3+ MolecularWeight: 549.68764

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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)C(C)C)N4C=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H40N8O3/c1-5-11-32-29(39)35-14-15-37(23(18-35)16-26(30)38,19-22-7-9-24(10-8-22)40-6-2)27-17-25(21(3)4)33-28(34-27)36-13-12-31-20-36/h7-10,12-13,17,20-21,23H,5-6,11,14-16,18-19H2,1-4H3,(H2-,30,32,38,39)/p+1