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

Systemtic Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-propan-2-yl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-isopropyl-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-propan-2-yl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-propan-2-ylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-isopropyl-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-16(2)24-14-6-7-18(15-24)22(25)23-21-9-5-4-8-20(21)17-10-12-19(26-3)13-11-17/h4-5,8-13,16,18H,6-7,14-15H2,1-3H3,(H,23,25)/p+1/t18-/m0/s1