N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-N-[(5-methyl-2-furyl)methyl]benzamide CAS Name: N-methyl-N-[(5-methyl-2-furanyl)methyl]-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-N-[(5-methyl-2-furyl)methyl]benzamide Formula: C25H30N3O4S+ MolecularWeight: 468.5884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S/c1-20-11-12-23(32-20)19-26(2)25(29)22-9-6-10-24(17-22)33(30,31)28-15-13-27(14-16-28)18-21-7-4-3-5-8-21/h3-12,17H,13-16,18-19H2,1-2H3/p+1