2-[[(3S)-1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[[(3S)-1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]ethyl]-methyl-ammonium CAS Name: 2-[[[[(3S)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[(3S)-5-keto-1-(4-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]ethyl]-methyl-ammonium Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)NC1CC(=O)N(C1)C2=CC=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCNC(=O)N[C@H]1CC(=O)N(C1)C2=CC=C(C=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-25(15-17-6-4-3-5-7-17)13-12-23-22(28)24-18-14-21(27)26(16-18)19-8-10-20(29-2)11-9-19/h3-11,18H,12-16H2,1-2H3,(H2,23,24,28)/p+1/t18-/m0/s1