3-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]methyl]-3-indolyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-pyrrolidino-propan-1-one Formula: C27H32N5OS+ MolecularWeight: 474.64088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2=CN(C3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NSC6=CC=CC=C65

Isomeric SMILES

C1CCN(C1)C(=O)CCC2=CN(C3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NSC6=CC=CC=C65

InChI

InChI=1S/C27H31N5OS/c33-26(30-13-5-6-14-30)12-11-21-19-32(24-9-3-1-7-22(21)24)20-29-15-17-31(18-16-29)27-23-8-2-4-10-25(23)34-28-27/h1-4,7-10,19H,5-6,11-18,20H2/p+1