(6S)-6-methyl-1-(2-methylphenyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: (6S)-6-methyl-1-(2-methylphenyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-one Openeye Name: (6S)-6-methyl-1-(o-tolyl)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-one CAS Name: (6S)-6-methyl-1-(2-methylphenyl)-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-2-piperazin-4-iumone IUPAC Name: (6S)-6-methyl-1-(2-methylphenyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-one Traditional Name: (6S)-6-methyl-1-(o-tolyl)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-one Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC=CC=C2C)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

C[C@H]1C[NH+](CC(=O)N1C2=CC=CC=C2C)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C22H24N4O/c1-17-7-3-4-10-21(17)26-18(2)14-24(16-22(26)27)15-20-9-6-12-25(20)19-8-5-11-23-13-19/h3-13,18H,14-16H2,1-2H3/p+1/t18-/m0/s1