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

Systemtic Name: (3S)-1-cyclohexyl-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-cyclohexyl-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-cyclohexyl-N-[2-(4-methoxyphenyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-cyclohexyl-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-cyclohexyl-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3CCC[NH+](C3)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)[C@H]3CCC[NH+](C3)C4CCCCC4

InChI

InChI=1S/C25H32N2O2/c1-29-22-15-13-19(14-16-22)23-11-5-6-12-24(23)26-25(28)20-8-7-17-27(18-20)21-9-3-2-4-10-21/h5-6,11-16,20-21H,2-4,7-10,17-18H2,1H3,(H,26,28)/p+1/t20-/m0/s1