N-[(3-methoxyphenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(3-methoxyphenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-m-anisyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-22-9-11-23(12-10-22)28(25,26)19-8-4-6-17(14-19)20(24)21-15-16-5-3-7-18(13-16)27-2/h3-8,13-14H,9-12,15H2,1-2H3,(H,21,24)/p+1