N-[(2-methoxyphenyl)methyl]-N-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-N-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methyl-benzamide CAS Name: N-[(2-methoxyphenyl)methyl]-N-methyl-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-N-o-anisyl-benzamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-28(21-24-11-6-7-14-26(24)34-2)27(31)23-12-8-13-25(19-23)35(32,33)30-17-15-29(16-18-30)20-22-9-4-3-5-10-22/h3-14,19H,15-18,20-21H2,1-2H3/p+1