(2S)-1-(1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(1H-indol-3-yl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-1-(1H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-1-one Formula: C17H23N2O+ MolecularWeight: 271.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@@H](C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H22N2O/c1-12-7-5-6-10-19(12)13(2)17(20)15-11-18-16-9-4-3-8-14(15)16/h3-4,8-9,11-13,18H,5-7,10H2,1-2H3/p+1/t12-,13-/m0/s1