(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one

Systemtic Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one Openeye Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one CAS Name: (2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one Traditional Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)C3=CNC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)C3=CNC4=CC=CC=C43)C

InChI

InChI=1S/C23H27N3O/c1-16-7-6-10-22(17(16)2)26-13-11-25(12-14-26)18(3)23(27)20-15-24-21-9-5-4-8-19(20)21/h4-10,15,18,24H,11-14H2,1-3H3/p+1/t18-/m1/s1