3,4-dimethyl-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 3,4-dimethyl-N-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: 3,4-dimethyl-N-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: N-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]-3,4-dimethyl-benzamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CSC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CSC=C3)C

InChI

InChI=1S/C20H25N3O2S/c1-15-3-4-18(11-16(15)2)20(25)21-12-19(24)23-8-6-22(7-9-23)13-17-5-10-26-14-17/h3-5,10-11,14H,6-9,12-13H2,1-2H3,(H,21,25)/p+1