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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumamine IUPAC Name: N-[(2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine Traditional Name: methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-o-anisyl-amine Formula: C19H28N4O3S+2 MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CC=CC=C3OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CC=CC=C3OC

InChI

InChI=1S/C19H26N4O3S/c1-21-10-12-23(13-11-21)27(24,25)17-8-9-19(20-14-17)22(2)15-16-6-4-5-7-18(16)26-3/h4-9,14H,10-13,15H2,1-3H3/p+2