(2S)-2-azanyl-1-(3-ethanoylpyridin-1-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one

Systemtic Name: (2S)-2-azanyl-1-(3-ethanoylpyridin-1-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Openeye Name: (2S)-1-(3-acetylpyridin-1-ium-1-yl)-2-amino-3-(1H-indol-3-yl)propan-1-one CAS Name: (2S)-1-(3-acetyl-1-pyridin-1-iumyl)-2-amino-3-(1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-1-(3-acetylpyridin-1-ium-1-yl)-2-amino-3-(1H-indol-3-yl)propan-1-one Traditional Name: (2S)-1-(3-acetylpyridin-1-ium-1-yl)-2-amino-3-(1H-indol-3-yl)propan-1-one Formula: C18H18N3O2+ MolecularWeight: 308.35442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)C(=O)C(CC2=CNC3=CC=CC=C32)N

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C18H18N3O2/c1-12(22)13-5-4-8-21(11-13)18(23)16(19)9-14-10-20-17-7-3-2-6-15(14)17/h2-8,10-11,16,20H,9,19H2,1H3/q+1/t16-/m0/s1