1-[(4-piperidin-1-ylcarbonylphenyl)methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-[(4-piperidin-1-ylcarbonylphenyl)methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea CAS Name: 1-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]-3-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[4-(piperidine-1-carbonyl)benzyl]-3-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]urea Formula: C24H32N5O2+ MolecularWeight: 422.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)NCC3=C[NH+]=C(C=C3)N4CCCC4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)NCC3=C[NH+]=C(C=C3)N4CCCC4

InChI

InChI=1S/C24H31N5O2/c30-23(29-14-2-1-3-15-29)21-9-6-19(7-10-21)16-26-24(31)27-18-20-8-11-22(25-17-20)28-12-4-5-13-28/h6-11,17H,1-5,12-16,18H2,(H2,26,27,31)/p+1