3-[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propyl-dipropyl-azanium

Systemtic Name: 3-[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propyl-dipropyl-azanium Openeye Name: 3-[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]propyl-dipropyl-ammonium CAS Name: 3-[[[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]propyl-dipropylammonium IUPAC Name: 3-[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]propyl-dipropylazanium Traditional Name: 3-[[(3S)-1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]carbamoylamino]propyl-dipropyl-ammonium Formula: C22H37N4O4+ MolecularWeight: 421.55358

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCCNC(=O)NC1CC(=O)N(C1)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC[NH+](CCC)CCCNC(=O)N[C@H]1CC(=O)N(C1)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H36N4O4/c1-5-11-25(12-6-2)13-7-10-23-22(28)24-17-14-21(27)26(16-17)18-8-9-19(29-3)20(15-18)30-4/h8-9,15,17H,5-7,10-14,16H2,1-4H3,(H2,23,24,28)/p+1/t17-/m0/s1