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

Systemtic Name: [3-(4-pyrrolidin-1-ium-1-ylbutanoylamino)phenyl]methylazanium Openeye Name: [3-(4-pyrrolidin-1-ium-1-ylbutanoylamino)phenyl]methylammonium CAS Name: [3-[[1-oxo-4-(1-pyrrolidin-1-iumyl)butyl]amino]phenyl]methylammonium IUPAC Name: [3-(4-pyrrolidin-1-ium-1-ylbutanoylamino)phenyl]methylazanium Traditional Name: [3-(4-pyrrolidin-1-ium-1-ylbutanoylamino)benzyl]ammonium Formula: C15H25N3O+2 MolecularWeight: 263.3785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O/c16-12-13-5-3-6-14(11-13)17-15(19)7-4-10-18-8-1-2-9-18/h3,5-6,11H,1-2,4,7-10,12,16H2,(H,17,19)/p+2