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

Systemtic Name: 4-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-piperidin-1-yl-butan-1-one Openeye Name: 4-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-(1-piperidyl)butan-1-one CAS Name: 4-[1-[[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]methyl]-3-indolyl]-1-(1-piperidinyl)-1-butanone IUPAC Name: 4-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-piperidin-1-ylbutan-1-one Traditional Name: 4-[1-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]indol-3-yl]-1-piperidino-butan-1-one Formula: C29H36N5OS+ MolecularWeight: 502.69404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCCC2=CN(C3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NSC6=CC=CC=C65

Isomeric SMILES

C1CCN(CC1)C(=O)CCCC2=CN(C3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NSC6=CC=CC=C65

InChI

InChI=1S/C29H35N5OS/c35-28(32-15-6-1-7-16-32)14-8-9-23-21-34(26-12-4-2-10-24(23)26)22-31-17-19-33(20-18-31)29-25-11-3-5-13-27(25)36-30-29/h2-5,10-13,21H,1,6-9,14-20,22H2/p+1