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

Systemtic Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(3-morpholin-4-ium-4-ylpropyl)urea Openeye Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]-3-(3-morpholin-4-ium-4-ylpropyl)urea CAS Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-3-[3-(4-morpholin-4-iumyl)propyl]urea IUPAC Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(3-morpholin-4-ium-4-ylpropyl)urea Traditional Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]-3-(3-morpholin-4-ium-4-ylpropyl)urea Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)NCCC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)NC(=O)NCCC[NH+]3CCOCC3)C

InChI

InChI=1S/C20H30N4O3/c1-15-4-5-18(12-16(15)2)24-14-17(13-19(24)25)22-20(26)21-6-3-7-23-8-10-27-11-9-23/h4-5,12,17H,3,6-11,13-14H2,1-2H3,(H2,21,22,26)/p+1/t17-/m0/s1