1-(4-chlorophenyl)carbonyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)carbonyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]piperidine-4-carboxamide Openeye Name: 1-(4-chlorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]piperidine-4-carboxamide CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-chlorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]piperidine-4-carboxamide Traditional Name: 1-(4-chlorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]isonipecotamide Formula: C22H33ClN3O2+ MolecularWeight: 406.96932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H32ClN3O2/c1-17-5-2-3-13-25(17)14-4-12-24-21(27)18-10-15-26(16-11-18)22(28)19-6-8-20(23)9-7-19/h6-9,17-18H,2-5,10-16H2,1H3,(H,24,27)/p+1/t17-/m0/s1