N-methyl-N-[(4-methylphenyl)methyl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-methyl-N-[(4-methylphenyl)methyl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-methyl-5-(1-piperidylsulfonyl)-N-(p-tolylmethyl)pyridin-1-ium-2-amine CAS Name: N-methyl-N-[(4-methylphenyl)methyl]-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-methyl-N-[(4-methylphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: methyl-(4-methylbenzyl)-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H25N3O2S/c1-16-6-8-17(9-7-16)15-21(2)19-11-10-18(14-20-19)25(23,24)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13,15H2,1-2H3/p+1