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-propyl-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-propyl-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-propyl-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-propyl-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-propylpiperazin-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-propyl-piperazin-4-ium-1-carboxamide Formula: C27H34ClN8O2+ MolecularWeight: 538.06426

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC3=C(CCC3)C=C2)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC3=C(CCC3)C=C2)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C27H33ClN8O2/c1-2-8-31-27(38)34-11-12-36(22(16-34)14-24(29)37,17-19-6-7-20-4-3-5-21(20)13-19)25-15-23(28)32-26(33-25)35-10-9-30-18-35/h6-7,9-10,13,15,18,22H,2-5,8,11-12,14,16-17H2,1H3,(H2-,29,31,37,38)/p+1