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

Systemtic Name: 3-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea Openeye Name: 3-[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea CAS Name: 3-[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]-1-methyl-1-(1-methyl-4-piperidin-1-iumyl)urea IUPAC Name: 3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea Traditional Name: 3-[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)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)N(C)C3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)N(C)C3CC[NH+](CC3)C

InChI

InChI=1S/C20H30N4O3/c1-4-27-18-7-5-17(6-8-18)24-14-15(13-19(24)25)21-20(26)23(3)16-9-11-22(2)12-10-16/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,26)/p+1/t15-/m0/s1