(3S)-N,N-diethyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N,N-diethyl-piperidine-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N,N-diethylpiperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N,N-diethyl-nipecotamide Formula: C22H36N3O+ MolecularWeight: 358.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCCN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O/c1-3-24(4-2)22(26)20-11-8-14-25(18-20)21-12-15-23(16-13-21)17-19-9-6-5-7-10-19/h5-7,9-10,20-21H,3-4,8,11-18H2,1-2H3/p+1/t20-/m0/s1