N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3-pyridin-3-yl-propanamide

Systemtic Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3-pyridin-3-yl-propanamide Openeye Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3-(3-pyridyl)propanamide CAS Name: N-[[2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl]-3-(3-pyridinyl)propanamide IUPAC Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3-pyridin-3-ylpropanamide Traditional Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3-(3-pyridyl)propionamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)CCC3=CN=CC=C3

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C21H28N4O/c1-25(19-9-3-2-4-10-19)21-18(8-6-14-23-21)16-24-20(26)12-11-17-7-5-13-22-15-17/h5-8,13-15,19H,2-4,9-12,16H2,1H3,(H,24,26)/p+1