1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(1H-indol-3-yl)butan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(1H-indol-3-yl)butan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(1H-indol-3-yl)butan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-4-(1H-indol-3-yl)-1-butanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(1H-indol-3-yl)butan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(1H-indol-3-yl)butan-1-one Formula: C24H27N4OS+ MolecularWeight: 419.56238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C24H26N4OS/c29-24(11-5-6-18-16-25-20-8-2-1-7-19(18)20)28-14-12-27(13-15-28)17-23-26-21-9-3-4-10-22(21)30-23/h1-4,7-10,16,25H,5-6,11-15,17H2/p+1