N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C21H30N4O+2 MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C21H28N4O/c1-24(16-18-9-4-2-5-10-18)21-19(11-8-12-22-21)15-23-20(26)17-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-17H2,1H3,(H,23,26)/p+2