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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N3CCC4=CC=CC=C43

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O/c1-18(25-12-11-20-9-5-6-10-21(20)25)22(26)24-15-13-23(14-16-24)17-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3/p+1/t18-/m1/s1