N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[[2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]isonipecotamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NCC2=C([NH+]=CC=C2)N(C)C3CCCCC3

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NCC2=C([NH+]=CC=C2)N(C)C3CCCCC3

InChI

InChI=1S/C21H32N4O2/c1-16(26)25-13-10-17(11-14-25)21(27)23-15-18-7-6-12-22-20(18)24(2)19-8-4-3-5-9-19/h6-7,12,17,19H,3-5,8-11,13-15H2,1-2H3,(H,23,27)/p+1