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

Systemtic Name: (3S)-1-cyclobutyl-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-cyclobutyl-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-cyclobutyl-N-[2-(4-methoxyphenyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-cyclobutyl-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-cyclobutyl-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3CCC[NH+](C3)C4CCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)[C@H]3CCC[NH+](C3)C4CCC4

InChI

InChI=1S/C23H28N2O2/c1-27-20-13-11-17(12-14-20)21-9-2-3-10-22(21)24-23(26)18-6-5-15-25(16-18)19-7-4-8-19/h2-3,9-14,18-19H,4-8,15-16H2,1H3,(H,24,26)/p+1/t18-/m0/s1