N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]isonipecotamide Formula: C20H29ClN3O2+ MolecularWeight: 378.91616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H28ClN3O2/c1-15(25)24-11-8-17(9-12-24)20(26)22-19-3-2-10-23(14-19)13-16-4-6-18(21)7-5-16/h4-7,17,19H,2-3,8-14H2,1H3,(H,22,26)/p+1/t19-/m0/s1