1-[[4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]urea

Systemtic Name: 1-[[4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]urea Openeye Name: [4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]phenyl]methylurea CAS Name: [4-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]methylurea IUPAC Name: [4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]methylurea Traditional Name: [4-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]benzyl]urea Formula: C19H28N5O3+ MolecularWeight: 374.45732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)N

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)N

InChI

InChI=1S/C19H27N5O3/c20-19(27)21-13-15-3-5-16(6-4-15)18(26)24-11-9-22(10-12-24)14-17(25)23-7-1-2-8-23/h3-6H,1-2,7-14H2,(H3,20,21,27)/p+1