(4S)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-pyrrolidin-2-one

Systemtic Name: (4S)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-pyrrolidin-2-one Openeye Name: (4S)-1-(p-tolyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one CAS Name: (4S)-1-(4-methylphenyl)-4-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-pyrrolidinone IUPAC Name: (4S)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one Traditional Name: (4S)-1-(p-tolyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)-2-pyrrolidone Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C21H24N4O2/c1-16-2-4-19(5-3-16)25-15-17(14-20(25)26)21(27)24-12-10-23(11-13-24)18-6-8-22-9-7-18/h2-9,17H,10-15H2,1H3/p+1/t17-/m0/s1