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

Systemtic Name: 3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(2S)-2-methylindolin-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(2S)-2-methylindolin-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H26N4O/c1-17-16-18-6-2-3-7-19(18)25(17)11-9-21(26)24-14-12-23(13-15-24)20-8-4-5-10-22-20/h2-8,10,17H,9,11-16H2,1H3/p+1/t17-/m0/s1