1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(3-pyrrolidin-1-ium-1-ylpropyl)urea

Systemtic Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(3-pyrrolidin-1-ium-1-ylpropyl)urea Openeye Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]-3-(3-pyrrolidin-1-ium-1-ylpropyl)urea CAS Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-3-[3-(1-pyrrolidin-1-iumyl)propyl]urea IUPAC Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ium-1-ylpropyl)urea Traditional Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]-3-(3-pyrrolidin-1-ium-1-ylpropyl)urea Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)NCCC[NH+]3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C[C@H](CC2=O)NC(=O)NCCC[NH+]3CCCC3)OC

InChI

InChI=1S/C20H30N4O4/c1-27-17-7-6-16(13-18(17)28-2)24-14-15(12-19(24)25)22-20(26)21-8-5-11-23-9-3-4-10-23/h6-7,13,15H,3-5,8-12,14H2,1-2H3,(H2,21,22,26)/p+1/t15-/m0/s1