(2S)-1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (2S)-1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)C(C)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O/c1-16-9-10-20-21(15-16)24-17(2)22(20)23(27)18(3)25-11-13-26(14-12-25)19-7-5-4-6-8-19/h4-10,15,18,24H,11-14H2,1-3H3/p+1/t18-/m0/s1