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

Systemtic Name: N-[(2-methylphenyl)methyl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(o-tolylmethyl)-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-[(2-methylphenyl)methyl]-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(2-methylphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (2-methylbenzyl)-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H23N3O2S/c1-15-7-3-4-8-16(15)13-19-18-10-9-17(14-20-18)24(22,23)21-11-5-2-6-12-21/h3-4,7-10,14H,2,5-6,11-13H2,1H3,(H,19,20)/p+1