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

Systemtic Name: (3S)-1-cyclobutyl-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-cyclobutyl-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-cyclobutyl-N-[4-(3-methoxyphenyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-cyclobutyl-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-cyclobutyl-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)C4CCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+](C3)C4CCC4

InChI

InChI=1S/C23H28N2O2/c1-27-22-9-2-5-18(15-22)17-10-12-20(13-11-17)24-23(26)19-6-4-14-25(16-19)21-7-3-8-21/h2,5,9-13,15,19,21H,3-4,6-8,14,16H2,1H3,(H,24,26)/p+1/t19-/m0/s1