5-piperidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: 5-piperidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: 5-(1-piperidylsulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine CAS Name: 5-(1-piperidinylsulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: 5-piperidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: (5-piperidinosulfonylpyridin-1-ium-2-yl)-(3,4,5-trimethoxybenzyl)amine Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H27N3O5S/c1-26-17-11-15(12-18(27-2)20(17)28-3)13-21-19-8-7-16(14-22-19)29(24,25)23-9-5-4-6-10-23/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,21,22)/p+1