(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-[(2S)-2-methylindolin-1-yl]-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-[(2S)-2-methylindolin-1-yl]-2-piperazin-4-ium-1-yl-propan-1-one Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)N3CC[NH2+]CC3

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)N3CC[NH2+]CC3

InChI

InChI=1S/C16H23N3O/c1-12-11-14-5-3-4-6-15(14)19(12)16(20)13(2)18-9-7-17-8-10-18/h3-6,12-13,17H,7-11H2,1-2H3/p+1/t12-,13-/m0/s1