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

Systemtic Name: 3-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-morpholino-propan-1-one CAS Name: 3-[1-[[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]methyl]-3-indolyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-morpholino-propan-1-one Formula: C27H32N5O2S+ MolecularWeight: 490.64028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=C(C3=CC=CC=C32)CCC(=O)N4CCOCC4)C5=NSC6=CC=CC=C65

Isomeric SMILES

C1CN(CC[NH+]1CN2C=C(C3=CC=CC=C32)CCC(=O)N4CCOCC4)C5=NSC6=CC=CC=C65

InChI

InChI=1S/C27H31N5O2S/c33-26(30-15-17-34-18-16-30)10-9-21-19-32(24-7-3-1-5-22(21)24)20-29-11-13-31(14-12-29)27-23-6-2-4-8-25(23)35-28-27/h1-8,19H,9-18,20H2/p+1