(3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(cyclopropanecarbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-(cyclopropanecarbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C22H32N3O2+ MolecularWeight: 370.50838

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O2/c26-21(23-15-17-5-2-1-3-6-17)19-7-4-12-25(16-19)20-10-13-24(14-11-20)22(27)18-8-9-18/h1-3,5-6,18-20H,4,7-16H2,(H,23,26)/p+1/t19-/m0/s1