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

Systemtic Name: (3S)-N-[(3-chlorophenyl)methyl]-1-(1-cyclopropylcarbonylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(3-chlorophenyl)methyl]-1-[1-(cyclopropanecarbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(3-chlorophenyl)methyl]-1-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(3-chlorophenyl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(3-chlorobenzyl)-1-[1-(cyclopropanecarbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C22H31ClN3O2+ MolecularWeight: 404.95344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)C3CC3)C(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)C3CC3)C(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H30ClN3O2/c23-19-5-1-3-16(13-19)14-24-21(27)18-4-2-10-26(15-18)20-8-11-25(12-9-20)22(28)17-6-7-17/h1,3,5,13,17-18,20H,2,4,6-12,14-15H2,(H,24,27)/p+1/t18-/m0/s1