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

Systemtic Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(3-morpholin-4-ium-4-ylpropyl)urea Openeye Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]-3-(3-morpholin-4-ium-4-ylpropyl)urea CAS Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-3-[3-(4-morpholin-4-iumyl)propyl]urea IUPAC Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-morpholin-4-ium-4-ylpropyl)urea Traditional Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]-3-(3-morpholin-4-ium-4-ylpropyl)urea Formula: C20H31N4O5+ MolecularWeight: 407.48394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)NCCC[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C[C@H](CC2=O)NC(=O)NCCC[NH+]3CCOCC3)OC

InChI

InChI=1S/C20H30N4O5/c1-27-17-5-4-16(13-18(17)28-2)24-14-15(12-19(24)25)22-20(26)21-6-3-7-23-8-10-29-11-9-23/h4-5,13,15H,3,6-12,14H2,1-2H3,(H2,21,22,26)/p+1/t15-/m0/s1