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

Systemtic Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]urea Openeye Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]urea CAS Name: 1-[3-(1-azepan-1-iumyl)propyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]urea IUPAC Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea Traditional Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]urea Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)NCCC[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)NCCC[NH+]3CCCCCC3

InChI

InChI=1S/C22H34N4O3/c1-2-29-20-10-8-19(9-11-20)26-17-18(16-21(26)27)24-22(28)23-12-7-15-25-13-5-3-4-6-14-25/h8-11,18H,2-7,12-17H2,1H3,(H2,23,24,28)/p+1/t18-/m0/s1