6-[methyl(pyridin-3-ylmethyl)amino]-N,N-bis(phenylmethyl)pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[methyl(pyridin-3-ylmethyl)amino]-N,N-bis(phenylmethyl)pyridin-1-ium-3-sulfonamide Openeye Name: N,N-dibenzyl-6-[methyl(3-pyridylmethyl)amino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[methyl(3-pyridinylmethyl)amino]-N,N-bis(phenylmethyl)-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-dibenzyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-dibenzyl-6-[methyl(3-pyridylmethyl)amino]pyridin-1-ium-3-sulfonamide Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)C2=[NH+]C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CN=CC=C1)C2=[NH+]C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-29(19-24-13-8-16-27-17-24)26-15-14-25(18-28-26)33(31,32)30(20-22-9-4-2-5-10-22)21-23-11-6-3-7-12-23/h2-18H,19-21H2,1H3/p+1