[4-(2-pyrrolidin-1-ium-1-ylethanoylamino)phenyl]methylazanium

Systemtic Name: [4-(2-pyrrolidin-1-ium-1-ylethanoylamino)phenyl]methylazanium Openeye Name: [4-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]phenyl]methylammonium CAS Name: [4-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]phenyl]methylammonium IUPAC Name: [4-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]phenyl]methylazanium Traditional Name: [4-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzyl]ammonium Formula: C13H21N3O+2 MolecularWeight: 235.32534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O/c14-9-11-3-5-12(6-4-11)15-13(17)10-16-7-1-2-8-16/h3-6H,1-2,7-10,14H2,(H,15,17)/p+2