N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S/c1-25-13-11-21(12-14-25)26(2)24(29)20-7-6-10-23(19-20)32(30,31)28-17-15-27(16-18-28)22-8-4-3-5-9-22/h3-10,19,21H,11-18H2,1-2H3/p+1