1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-piperidin-1-ylcarbonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-piperidin-1-ylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(2S)-2-methylindolin-1-yl]-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-[oxo(1-piperidinyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methylindolin-1-yl]-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C(=O)N4CCCCC4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C21H30N4O2/c1-17-15-18-7-3-4-8-19(18)25(17)20(26)16-22-11-13-24(14-12-22)21(27)23-9-5-2-6-10-23/h3-4,7-8,17H,2,5-6,9-16H2,1H3/p+1/t17-/m0/s1