[2-[(3-azanyl-4-ethyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(2-pyridin-4-ylethyl)azanium

Systemtic Name: [2-[(3-azanyl-4-ethyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(2-pyridin-4-ylethyl)azanium Openeye Name: [2-(3-amino-4-ethyl-anilino)-2-oxo-ethyl]-ethyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: [2-(3-amino-4-ethylanilino)-2-oxoethyl]-ethyl-(2-pyridin-4-ylethyl)ammonium IUPAC Name: [2-(3-amino-4-ethylanilino)-2-oxoethyl]-ethyl-(2-pyridin-4-ylethyl)azanium Traditional Name: [2-(3-amino-4-ethyl-anilino)-2-keto-ethyl]-ethyl-[2-(4-pyridyl)ethyl]ammonium Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C[NH+](CC)CCC2=CC=NC=C2)N

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C[NH+](CC)CCC2=CC=NC=C2)N

InChI

InChI=1S/C19H26N4O/c1-3-16-5-6-17(13-18(16)20)22-19(24)14-23(4-2)12-9-15-7-10-21-11-8-15/h5-8,10-11,13H,3-4,9,12,14,20H2,1-2H3,(H,22,24)/p+1