4-[[4-[(3R)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3R)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3R)-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[(3R)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(3R)-5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2C[C@@H](CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H26N4O3/c1-31-22-4-2-3-21(14-22)28-17-20(13-23(28)29)24(30)27-11-9-26(10-12-27)16-19-7-5-18(15-25)6-8-19/h2-8,14,20H,9-13,16-17H2,1H3/p+1/t20-/m1/s1