3,4-dimethyl-N-[(Z)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-yl-prop-1-en-2-yl]benzamide

Systemtic Name: 3,4-dimethyl-N-[(Z)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-yl-prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(2-thienyl)vinyl]-3,4-dimethyl-benzamide CAS Name: 3,4-dimethyl-N-[(Z)-3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3,4-dimethylbenzamide Traditional Name: N-[(Z)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(2-thienyl)vinyl]-3,4-dimethyl-benzamide Formula: C27H30N3O2S+ MolecularWeight: 460.611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H29N3O2S/c1-20-10-11-23(17-21(20)2)26(31)28-25(18-24-9-6-16-33-24)27(32)30-14-12-29(13-15-30)19-22-7-4-3-5-8-22/h3-11,16-18H,12-15,19H2,1-2H3,(H,28,31)/p+1/b25-18-