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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[(4-methoxyphenyl)methyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-p-anisyl-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)OC)C3=NC(=NC(=C3)C)N4C=CN=C4

Isomeric SMILES

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

InChI

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