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

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-indolin-1-yl-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 1-(2,3-dihydroindol-1-yl)-3-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 1-indolin-1-yl-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CCN3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CCN3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C21H26N4O/c26-21(25-12-8-18-5-1-2-7-20(18)25)9-11-23-13-15-24(16-14-23)17-19-6-3-4-10-22-19/h1-7,10H,8-9,11-17H2/p+1