8-bromanyl-7-oxidanylidene-2-phenyl-N-[(1S)-1-phenylethyl]-3-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]-1H-quinoline-4-carboxamide chloride

Systemtic Name: 8-bromanyl-7-oxidanylidene-2-phenyl-N-[(1S)-1-phenylethyl]-3-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]-1H-quinoline-4-carboxamide chloride Openeye Name: 8-bromo-7-oxo-2-phenyl-N-[(1S)-1-phenylethyl]-3-[[4-(1-piperidyl)piperidin-1-ium-1-yl]methyl]-1H-quinoline-4-carboxamide chloride CAS Name: 8-bromo-7-oxo-2-phenyl-N-[(1S)-1-phenylethyl]-3-[[4-(1-piperidinyl)-1-piperidin-1-iumyl]methyl]-1H-quinoline-4-carboxamide chloride IUPAC Name: 8-bromo-7-oxo-2-phenyl-N-[(1S)-1-phenylethyl]-3-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]-1H-quinoline-4-carboxamide chloride Traditional Name: 8-bromo-7-keto-2-phenyl-N-[(1S)-1-phenylethyl]-3-[(4-piperidinopiperidin-1-ium-1-yl)methyl]-1H-quinoline-4-carboxamide chloride Formula: C35H40BrClN4O2 MolecularWeight: 664.0747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C3C=CC(=O)C(=C3NC(=C2C[NH+]4CCC(CC4)N5CCCCC5)C6=CC=CC=C6)Br.[Cl-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2=C3C=CC(=O)C(=C3NC(=C2C[NH+]4CCC(CC4)N5CCCCC5)C6=CC=CC=C6)Br.[Cl-]

InChI

InChI=1S/C35H39BrN4O2.ClH/c1-24(25-11-5-2-6-12-25)37-35(42)31-28-15-16-30(41)32(36)34(28)38-33(26-13-7-3-8-14-26)29(31)23-39-21-17-27(18-22-39)40-19-9-4-10-20-40;/h2-3,5-8,11-16,24,27,38H,4,9-10,17-23H2,1H3,(H,37,42);1H/t24-;/m0./s1