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

Systemtic Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]urea Openeye Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-5-oxo-1-phenyl-pyrrolidin-3-yl]urea CAS Name: 1-[3-(1-azepan-1-iumyl)propyl]-3-[(3S)-5-oxo-1-phenyl-3-pyrrolidinyl]urea IUPAC Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea Traditional Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-5-keto-1-phenyl-pyrrolidin-3-yl]urea Formula: C20H31N4O2+ MolecularWeight: 359.48574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)NC2CC(=O)N(C2)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)N[C@H]2CC(=O)N(C2)C3=CC=CC=C3

InChI

InChI=1S/C20H30N4O2/c25-19-15-17(16-24(19)18-9-4-3-5-10-18)22-20(26)21-11-8-14-23-12-6-1-2-7-13-23/h3-5,9-10,17H,1-2,6-8,11-16H2,(H2,21,22,26)/p+1/t17-/m0/s1