(1S)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]cyclohex-3-ene-1-carboxamide Formula: C21H27N4O+ MolecularWeight: 351.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)C3CCC=CC3

Isomeric SMILES

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C21H26N4O/c1-25(15-12-19-11-5-6-13-22-19)20-18(10-7-14-23-20)16-24-21(26)17-8-3-2-4-9-17/h2-3,5-7,10-11,13-14,17H,4,8-9,12,15-16H2,1H3,(H,24,26)/p+1/t17-/m1/s1