(2R,3S)-2,3-dimethyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-1-ium-4-one

Systemtic Name: (2R,3S)-2,3-dimethyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-1-ium-4-one Openeye Name: (2R,3S)-2,3-dimethyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-1-ium-4-one CAS Name: (2R,3S)-2,3-dimethyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperidin-1-iumone IUPAC Name: (2R,3S)-2,3-dimethyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-1-ium-4-one Traditional Name: (2R,3S)-2,3-dimethyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-1-ium-4-one Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH+](CCC1=O)CCC2=C(NC3=CC=CC=C32)C)C

Isomeric SMILES

C[C@H]1[C@H]([NH+](CCC1=O)CCC2=C(NC3=CC=CC=C32)C)C

InChI

InChI=1S/C18H24N2O/c1-12-14(3)20(11-9-18(12)21)10-8-15-13(2)19-17-7-5-4-6-16(15)17/h4-7,12,14,19H,8-11H2,1-3H3/p+1/t12-,14+/m0/s1