[3-[[2-(azaniumylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-butyl-methyl-azanium

Systemtic Name: [3-[[2-(azaniumylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-butyl-methyl-azanium Openeye Name: [3-[2-(azaniumylmethyl)anilino]-3-oxo-propyl]-butyl-methyl-ammonium CAS Name: [3-[2-(ammoniomethyl)anilino]-3-oxopropyl]-butyl-methylammonium IUPAC Name: [3-[2-(azaniumylmethyl)anilino]-3-oxopropyl]-butyl-methylazanium Traditional Name: [3-[2-(ammoniomethyl)anilino]-3-keto-propyl]-butyl-methyl-ammonium Formula: C15H27N3O+2 MolecularWeight: 265.39438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CCC(=O)NC1=CC=CC=C1C[NH3+]

Isomeric SMILES

CCCC[NH+](C)CCC(=O)NC1=CC=CC=C1C[NH3+]

InChI

InChI=1S/C15H25N3O/c1-3-4-10-18(2)11-9-15(19)17-14-8-6-5-7-13(14)12-16/h5-8H,3-4,9-12,16H2,1-2H3,(H,17,19)/p+2