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

Systemtic Name: N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine Openeye Name: N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine CAS Name: N-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[(2,3,4-trimethoxyphenyl)methyl]-2-pyridinamine IUPAC Name: N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine Traditional Name: methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-(2,3,4-trimethoxybenzyl)amine Formula: C21H31N4O5S+ MolecularWeight: 451.55964

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N(C)CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N(C)CC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C21H30N4O5S/c1-23-10-12-25(13-11-23)31(26,27)17-7-9-19(22-14-17)24(2)15-16-6-8-18(28-3)21(30-5)20(16)29-4/h6-9,14H,10-13,15H2,1-5H3/p+1