3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-(cyclopropylmethyl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-(cyclopropylmethyl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-(cyclopropylmethyl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-(cyclopropylmethyl)-N-(4-methoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-(cyclopropylmethyl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-(cyclopropylmethyl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C25H30ClN8O3+ MolecularWeight: 526.0105

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CC[N+](C(C2)CC(=O)N)(CC3CC3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CC[N+](C(C2)CC(=O)N)(CC3CC3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C25H29ClN8O3/c1-37-20-6-4-18(5-7-20)29-25(36)32-10-11-34(15-17-2-3-17,19(14-32)12-22(27)35)23-13-21(26)30-24(31-23)33-9-8-28-16-33/h4-9,13,16-17,19H,2-3,10-12,14-15H2,1H3,(H2-,27,29,35,36)/p+1