(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(3-methylbutyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(3-methylbutyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-isopentyl-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(3-methylbutyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(3-methylbutyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-isoamyl-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCCC(C1)C(=O)NC2=CC=CC=C2C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CC[NH+]1CCC[C@@H](C1)C(=O)NC2=CC=CC=C2C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H32N2O2/c1-18(2)14-16-26-15-6-7-20(17-26)24(27)25-23-9-5-4-8-22(23)19-10-12-21(28-3)13-11-19/h4-5,8-13,18,20H,6-7,14-17H2,1-3H3,(H,25,27)/p+1/t20-/m0/s1