N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)pyridin-1-ium-2-amine

Systemtic Name: N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)pyridin-1-ium-2-amine Openeye Name: N-methyl-5-(1-piperidylsulfonyl)-N-(3-pyridylmethyl)pyridin-1-ium-2-amine CAS Name: N-methyl-5-(1-piperidinylsulfonyl)-N-(3-pyridinylmethyl)-2-pyridin-1-iumamine IUPAC Name: N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)pyridin-1-ium-2-amine Traditional Name: methyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)-(3-pyridylmethyl)amine Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-20(14-15-6-5-9-18-12-15)17-8-7-16(13-19-17)24(22,23)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11,14H2,1H3/p+1