(3S)-1-cyclopropyl-6-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-cyclopropyl-6-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-cyclopropyl-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-1-cyclopropyl-6-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-cyclopropyl-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-cyclopropyl-6-keto-nipecotamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CC(CCC2=O)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C4CC4

InChI

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