3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

InChI

InChI=1S/C26H34N4O4S/c1-21(31)29-14-16-30(17-15-29)35(33,34)25-11-7-10-22(18-25)26(32)27-19-23-8-3-4-9-24(23)20-28-12-5-2-6-13-28/h3-4,7-11,18H,2,5-6,12-17,19-20H2,1H3,(H,27,32)/p+1