(1S)-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]cyclohex-3-ene-1-carboxamide Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3CCC=CC3

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C21H30N2O/c1-17-11-13-23(14-12-17)16-19-9-7-18(8-10-19)15-22-21(24)20-5-3-2-4-6-20/h2-3,7-10,17,20H,4-6,11-16H2,1H3,(H,22,24)/p+1/t20-/m1/s1