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

Systemtic Name: (3S)-1-[1-(3-methylbutyl)piperidin-1-ium-4-yl]-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-benzyl-1-(1-isopentylpiperidin-1-ium-4-yl)piperidine-3-carboxamide CAS Name: (3S)-1-[1-(3-methylbutyl)-4-piperidin-1-iumyl]-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(3-methylbutyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-benzyl-1-(1-isoamylpiperidin-1-ium-4-yl)nipecotamide Formula: C23H38N3O+ MolecularWeight: 372.56732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCC(CC1)N2CCCC(C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC[NH+]1CCC(CC1)N2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H37N3O/c1-19(2)10-14-25-15-11-22(12-16-25)26-13-6-9-21(18-26)23(27)24-17-20-7-4-3-5-8-20/h3-5,7-8,19,21-22H,6,9-18H2,1-2H3,(H,24,27)/p+1/t21-/m0/s1