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

Systemtic Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-indolin-1-yl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-indolin-1-yl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propan-1-one Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O/c1-17-7-3-5-9-20(17)24-15-13-23(14-16-24)18(2)22(26)25-12-11-19-8-4-6-10-21(19)25/h3-10,18H,11-16H2,1-2H3/p+1/t18-/m1/s1