1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3,3-diphenyl-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3,3-diphenylpropan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one Formula: C27H28N3OS+ MolecularWeight: 442.59572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3OS/c31-27(19-23(21-9-3-1-4-10-21)22-11-5-2-6-12-22)30-17-15-29(16-18-30)20-26-28-24-13-7-8-14-25(24)32-26/h1-14,23H,15-20H2/p+1