N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-amine Traditional Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-veratryl-amine Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H26N4O4S/c1-22-8-10-23(11-9-22)28(24,25)16-5-7-19(21-14-16)20-13-15-4-6-17(26-2)18(12-15)27-3/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,21)/p+1