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

Systemtic Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(2-morpholin-4-ium-4-ylethyl)urea Openeye Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]-3-(2-morpholin-4-ium-4-ylethyl)urea CAS Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-3-[2-(4-morpholin-4-iumyl)ethyl]urea IUPAC Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-morpholin-4-ium-4-ylethyl)urea Traditional Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]-3-(2-morpholin-4-ium-4-ylethyl)urea Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3/c1-14-3-4-17(11-15(14)2)23-13-16(12-18(23)24)21-19(25)20-5-6-22-7-9-26-10-8-22/h3-4,11,16H,5-10,12-13H2,1-2H3,(H2,20,21,25)/p+1/t16-/m0/s1