[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)phenyl]methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)benzyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCC[NH2+]CC2=CC=C(C=C2)OCC(=O)N

Isomeric SMILES

C1CC[NH+](C1)CCC[NH2+]CC2=CC=C(C=C2)OCC(=O)N

InChI

InChI=1S/C16H25N3O2/c17-16(20)13-21-15-6-4-14(5-7-15)12-18-8-3-11-19-9-1-2-10-19/h4-7,18H,1-3,8-13H2,(H2,17,20)/p+2