1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(2-morpholin-4-ium-4-ylethyl)urea

Systemtic Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(2-morpholin-4-ium-4-ylethyl)urea Openeye Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]-3-(2-morpholin-4-ium-4-ylethyl)urea CAS Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-3-[2-(4-morpholin-4-iumyl)ethyl]urea IUPAC Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-morpholin-4-ium-4-ylethyl)urea Traditional Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]-3-(2-morpholin-4-ium-4-ylethyl)urea Formula: C19H29N4O5+ MolecularWeight: 393.45736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O5/c1-26-16-4-3-15(12-17(16)27-2)23-13-14(11-18(23)24)21-19(25)20-5-6-22-7-9-28-10-8-22/h3-4,12,14H,5-11,13H2,1-2H3,(H2,20,21,25)/p+1/t14-/m0/s1