(3S)-1-(4-chlorophenyl)carbonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]nipecotamide Formula: C23H29ClN5O2+ MolecularWeight: 442.96166

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H28ClN5O2/c1-27-11-13-28(14-12-27)21-9-8-20(15-25-21)26-22(30)18-3-2-10-29(16-18)23(31)17-4-6-19(24)7-5-17/h4-9,15,18H,2-3,10-14,16H2,1H3,(H,26,30)/p+1/t18-/m0/s1