4-tert-butyl-N-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-oxo-3-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]propyl]benzamide CAS Name: 4-tert-butyl-N-[3-oxo-3-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]benzamide Traditional Name: 4-tert-butyl-N-[3-keto-3-[4-(3-thenyl)piperazin-4-ium-1-yl]propyl]benzamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C23H31N3O2S/c1-23(2,3)20-6-4-19(5-7-20)22(28)24-10-8-21(27)26-13-11-25(12-14-26)16-18-9-15-29-17-18/h4-7,9,15,17H,8,10-14,16H2,1-3H3,(H,24,28)/p+1