[4-(3-pyrrolidin-1-ium-1-ylpropanoylamino)phenyl]methylazanium

Systemtic Name: [4-(3-pyrrolidin-1-ium-1-ylpropanoylamino)phenyl]methylazanium Openeye Name: [4-(3-pyrrolidin-1-ium-1-ylpropanoylamino)phenyl]methylammonium CAS Name: [4-[[1-oxo-3-(1-pyrrolidin-1-iumyl)propyl]amino]phenyl]methylammonium IUPAC Name: [4-(3-pyrrolidin-1-ium-1-ylpropanoylamino)phenyl]methylazanium Traditional Name: [4-(3-pyrrolidin-1-ium-1-ylpropanoylamino)benzyl]ammonium Formula: C14H23N3O+2 MolecularWeight: 249.35192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCC(=O)NC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1CC[NH+](C1)CCC(=O)NC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C14H21N3O/c15-11-12-3-5-13(6-4-12)16-14(18)7-10-17-8-1-2-9-17/h3-6H,1-2,7-11,15H2,(H,16,18)/p+2