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

Systemtic Name: (3S)-N-methyl-N-(3-methylbutyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-isopentyl-N-methyl-piperidine-3-carboxamide CAS Name: (3S)-N-methyl-N-(3-methylbutyl)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-isoamyl-N-methyl-nipecotamide Formula: C24H40N3O+ MolecularWeight: 386.5939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39N3O/c1-20(2)11-15-25(3)24(28)22-10-7-14-27(19-22)23-12-16-26(17-13-23)18-21-8-5-4-6-9-21/h4-6,8-9,20,22-23H,7,10-19H2,1-3H3/p+1/t22-/m0/s1