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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C20H30N4O3/c1-2-27-18-8-6-17(7-9-18)24-15-16(14-19(24)25)22-20(26)21-10-5-13-23-11-3-4-12-23/h6-9,16H,2-5,10-15H2,1H3,(H2,21,22,26)/p+1/t16-/m0/s1