(5Z)-5-(1H-indol-3-ylmethylidene)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazol-4-one

Systemtic Name: (5Z)-5-(1H-indol-3-ylmethylidene)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazol-4-one Openeye Name: (5Z)-2-(4-benzylpiperazin-4-ium-1-yl)-5-(1H-indol-3-ylmethylene)thiazol-4-one CAS Name: (5Z)-5-(1H-indol-3-ylmethylidene)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-thiazolone IUPAC Name: (5Z)-2-(4-benzylpiperazin-4-ium-1-yl)-5-(1H-indol-3-ylmethylidene)-1,3-thiazol-4-one Traditional Name: (5Z)-2-(4-benzylpiperazin-4-ium-1-yl)-5-(1H-indol-3-ylmethylene)-2-thiazolin-4-one Formula: C23H23N4OS+ MolecularWeight: 403.51992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=O)C(=CC4=CNC5=CC=CC=C54)S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=O)/C(=C/C4=CNC5=CC=CC=C54)/S3

InChI

InChI=1S/C23H22N4OS/c28-22-21(14-18-15-24-20-9-5-4-8-19(18)20)29-23(25-22)27-12-10-26(11-13-27)16-17-6-2-1-3-7-17/h1-9,14-15,24H,10-13,16H2/p+1/b21-14-