3-[1-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one CAS Name: 3-[1-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-4-piperidin-1-iumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C24H26N4O2/c1-15-22(18-7-3-4-8-19(18)25-15)23(29)16(2)27-13-11-17(12-14-27)28-21-10-6-5-9-20(21)26-24(28)30/h3-10,16-17,25H,11-14H2,1-2H3,(H,26,30)/p+1/t16-/m0/s1