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

Systemtic Name: (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-[(2R)-2-methylindolin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-[(2R)-2-methylindolin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one Formula: C21H28N4O+2 MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H26N4O/c1-16-15-18-7-3-4-8-19(18)25(16)21(26)17(2)23-11-13-24(14-12-23)20-9-5-6-10-22-20/h3-10,16-17H,11-15H2,1-2H3/p+2/t16-,17+/m1/s1