1-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea

Systemtic Name: 1-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Openeye Name: 1-[(3S)-5-oxo-1-phenyl-pyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea CAS Name: 1-[(3S)-5-oxo-1-phenyl-3-pyrrolidinyl]-3-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]urea IUPAC Name: 1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Traditional Name: 1-[(3S)-5-keto-1-phenyl-pyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Formula: C23H30N5O2+ MolecularWeight: 408.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)NC2CC(=O)N(C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)N[C@H]2CC(=O)N(C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N5O2/c29-22-17-19(18-28(22)21-9-5-2-6-10-21)25-23(30)24-11-12-26-13-15-27(16-14-26)20-7-3-1-4-8-20/h1-10,19H,11-18H2,(H2,24,25,30)/p+1/t19-/m0/s1