[4-[[4-(azaniumylmethyl)phenyl]amino]-4-oxidanylidene-butyl]-dimethyl-azanium

Systemtic Name: [4-[[4-(azaniumylmethyl)phenyl]amino]-4-oxidanylidene-butyl]-dimethyl-azanium Openeye Name: [4-[4-(azaniumylmethyl)anilino]-4-oxo-butyl]-dimethyl-ammonium CAS Name: [4-[4-(ammoniomethyl)anilino]-4-oxobutyl]-dimethylammonium IUPAC Name: [4-[4-(azaniumylmethyl)anilino]-4-oxobutyl]-dimethylazanium Traditional Name: [4-[4-(ammoniomethyl)anilino]-4-keto-butyl]-dimethyl-ammonium Formula: C13H23N3O+2 MolecularWeight: 237.34122

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC(=O)NC1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

C[NH+](C)CCCC(=O)NC1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C13H21N3O/c1-16(2)9-3-4-13(17)15-12-7-5-11(10-14)6-8-12/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)/p+2