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

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: methyl-o-veratryl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-22(15-16-8-7-9-18(26-2)20(16)27-3)19-11-10-17(14-21-19)28(24,25)23-12-5-4-6-13-23/h7-11,14H,4-6,12-13,15H2,1-3H3/p+1