2-azanyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]pyridin-1-ium-4-carboxamide

Systemtic Name: 2-azanyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]pyridin-1-ium-4-carboxamide Openeye Name: 2-amino-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]pyridin-1-ium-4-carboxamide CAS Name: 2-amino-N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-4-pyridin-1-iumcarboxamide IUPAC Name: 2-amino-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]pyridin-1-ium-4-carboxamide Traditional Name: 2-amino-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]pyridin-1-ium-4-carboxamide Formula: C20H23N5O+2 MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC(=[NH+]C=C3)N

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC(=[NH+]C=C3)N

InChI

InChI=1S/C20H21N5O/c1-25(14-15-6-3-2-4-7-15)19-17(8-5-10-23-19)13-24-20(26)16-9-11-22-18(21)12-16/h2-12H,13-14H2,1H3,(H2,21,22)(H,24,26)/p+2