(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-1-(2-methyl-1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C18H23N3O2/c1-12-17(15-6-4-5-7-16(15)19-12)18(23)13(2)20-8-10-21(11-9-20)14(3)22/h4-7,13,19H,8-11H2,1-3H3/p+1/t13-/m0/s1