[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[4-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone Formula: C23H23N4OS+ MolecularWeight: 403.51992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

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