N-methyl-N-(phenylmethyl)-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-methyl-N-(phenylmethyl)-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-benzyl-N-methyl-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-methyl-N-(phenylmethyl)-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-benzyl-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: benzyl-methyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-20(15-16-8-4-2-5-9-16)18-11-10-17(14-19-18)24(22,23)21-12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3/p+1