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

Systemtic Name: [3-[[3-(azaniumylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-butyl-ethyl-azanium Openeye Name: [3-[3-(azaniumylmethyl)anilino]-3-oxo-propyl]-butyl-ethyl-ammonium CAS Name: [3-[3-(ammoniomethyl)anilino]-3-oxopropyl]-butyl-ethylammonium IUPAC Name: [3-[3-(azaniumylmethyl)anilino]-3-oxopropyl]-butyl-ethylazanium Traditional Name: [3-[3-(ammoniomethyl)anilino]-3-keto-propyl]-butyl-ethyl-ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-3-5-10-19(4-2)11-9-16(20)18-15-8-6-7-14(12-15)13-17/h6-8,12H,3-5,9-11,13,17H2,1-2H3,(H,18,20)/p+2