N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]cycloheptanecarboxamide

Systemtic Name: N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]cycloheptanecarboxamide Openeye Name: N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]cycloheptanecarboxamide CAS Name: N-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]cycloheptanecarboxamide IUPAC Name: N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]cycloheptanecarboxamide Traditional Name: N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]cycloheptanecarboxamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)C3CCCCCC3

Isomeric SMILES

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)C3CCCCCC3

InChI

InChI=1S/C22H30N4O/c1-26(16-13-20-12-6-7-14-23-20)21-19(11-8-15-24-21)17-25-22(27)18-9-4-2-3-5-10-18/h6-8,11-12,14-15,18H,2-5,9-10,13,16-17H2,1H3,(H,25,27)/p+1