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

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-(1-azepan-1-iumyl)-1-(2-methyl-1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCCCCC3

InChI

InChI=1S/C18H24N2O/c1-13-17(15-9-5-6-10-16(15)19-13)18(21)14(2)20-11-7-3-4-8-12-20/h5-6,9-10,14,19H,3-4,7-8,11-12H2,1-2H3/p+1/t14-/m0/s1