3-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-piperidin-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-piperidin-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-(1-piperidyl)propan-1-one CAS Name: 3-[1-[[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]methyl]-3-indolyl]-1-(1-piperidinyl)-1-propanone IUPAC Name: 3-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-piperidin-1-ylpropan-1-one Traditional Name: 3-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-piperidino-propan-1-one Formula: C28H34N5OS+ MolecularWeight: 488.66746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCC2=CN(C3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NSC6=CC=CC=C65

Isomeric SMILES

C1CCN(CC1)C(=O)CCC2=CN(C3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NSC6=CC=CC=C65

InChI

InChI=1S/C28H33N5OS/c34-27(31-14-6-1-7-15-31)13-12-22-20-33(25-10-4-2-8-23(22)25)21-30-16-18-32(19-17-30)28-24-9-3-5-11-26(24)35-29-28/h2-5,8-11,20H,1,6-7,12-19,21H2/p+1