7-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C19H22N3O2S2+ MolecularWeight: 388.52688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4)NC1=O

InChI

InChI=1S/C19H21N3O2S2/c23-18-4-10-26-17-2-1-15(11-16(17)20-18)19(24)22-7-5-21(6-8-22)12-14-3-9-25-13-14/h1-3,9,11,13H,4-8,10,12H2,(H,20,23)/p+1