3,4,5-trimethoxy-N-[(1S,2R)-1-(4-phenylpiperazin-1-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(1S,2R)-1-(4-phenylpiperazin-1-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(1R,2S)-1-methyl-2-(4-phenylpiperazin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[(1S,2R)-1-(4-phenyl-1-piperazin-1-iumyl)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(1S,2R)-1-(4-phenylpiperazin-1-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(1R,2S)-1-methyl-2-(4-phenylpiperazin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C27H34N3O4S+ MolecularWeight: 496.64156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C27H33N3O4S/c1-19(28-27(31)20-17-22(32-2)26(34-4)23(18-20)33-3)25(24-11-8-16-35-24)30-14-12-29(13-15-30)21-9-6-5-7-10-21/h5-11,16-19,25H,12-15H2,1-4H3,(H,28,31)/p+1/t19-,25+/m1/s1