1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-piperazin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-piperazin-1-ium-1-yl-ethanone Openeye Name: 1-[(2S)-2-methylindolin-1-yl]-2-piperazin-1-ium-1-yl-ethanone CAS Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-piperazin-1-ium-1-ylethanone Traditional Name: 1-[(2S)-2-methylindolin-1-yl]-2-piperazin-1-ium-1-yl-ethanone Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCNCC3

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CCNCC3

InChI

InChI=1S/C15H21N3O/c1-12-10-13-4-2-3-5-14(13)18(12)15(19)11-17-8-6-16-7-9-17/h2-5,12,16H,6-11H2,1H3/p+1/t12-/m0/s1