N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(o-tolylmethyl)-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(2-methylphenyl)methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (2-methylbenzyl)-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H21N3O2S/c1-14-6-2-3-7-15(14)12-18-17-9-8-16(13-19-17)23(21,22)20-10-4-5-11-20/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,18,19)/p+1