(3S)-N-cyclopropyl-1-[1-(phenylcarbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(phenylcarbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-benzoyl-4-piperidyl)-N-cyclopropyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-benzoyl-4-piperidinyl)-N-cyclopropyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzoylpiperidin-4-yl)-N-cyclopropylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-benzoyl-4-piperidyl)-N-cyclopropyl-piperidin-1-ium-3-carboxamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C21H29N3O2/c25-20(22-18-8-9-18)17-7-4-12-24(15-17)19-10-13-23(14-11-19)21(26)16-5-2-1-3-6-16/h1-3,5-6,17-19H,4,7-15H2,(H,22,25)/p+1/t17-/m0/s1