(4R)-1-(3-methoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-2-one

Systemtic Name: (4R)-1-(3-methoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-2-one Openeye Name: (4R)-1-(3-methoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one CAS Name: (4R)-1-(3-methoxyphenyl)-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-pyrrolidinone IUPAC Name: (4R)-1-(3-methoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one Traditional Name: (4R)-1-(3-methoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-pyrrolidone Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=CC(=C1)N2C[C@@H](CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H24N4O3/c1-28-18-6-4-5-17(14-18)25-15-16(13-20(25)26)21(27)24-11-9-23(10-12-24)19-7-2-3-8-22-19/h2-8,14,16H,9-13,15H2,1H3/p+1/t16-/m1/s1