3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-(indan-5-ylmethyl)-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-(2,3-dihydro-1H-inden-5-ylmethyl)-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-(indan-5-ylmethyl)-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C30H32ClN8O2+ MolecularWeight: 572.08048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C[N+]3(CCN(CC3CC(=O)N)C(=O)NC4=CC=CC=C4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C[N+]3(CCN(CC3CC(=O)N)C(=O)NC4=CC=CC=C4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

InChI

InChI=1S/C30H31ClN8O2/c31-26-17-28(36-29(35-26)38-12-11-33-20-38)39(19-21-9-10-22-5-4-6-23(22)15-21)14-13-37(18-25(39)16-27(32)40)30(41)34-24-7-2-1-3-8-24/h1-3,7-12,15,17,20,25H,4-6,13-14,16,18-19H2,(H2-,32,34,40,41)/p+1