3-(4-chloranyl-2-prop-2-enyl-phenoxy)propyl-(3-methoxypropyl)azanium

Systemtic Name: 3-(4-chloranyl-2-prop-2-enyl-phenoxy)propyl-(3-methoxypropyl)azanium Openeye Name: 3-(2-allyl-4-chloro-phenoxy)propyl-(3-methoxypropyl)ammonium CAS Name: 3-(4-chloro-2-prop-2-enylphenoxy)propyl-(3-methoxypropyl)ammonium IUPAC Name: 3-(4-chloro-2-prop-2-enylphenoxy)propyl-(3-methoxypropyl)azanium Traditional Name: 3-(2-allyl-4-chloro-phenoxy)propyl-(3-methoxypropyl)ammonium Formula: C16H25ClNO2+ MolecularWeight: 298.8282

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH2+]CCCOC1=C(C=C(C=C1)Cl)CC=C

Isomeric SMILES

COCCC[NH2+]CCCOC1=C(C=C(C=C1)Cl)CC=C

InChI

InChI=1S/C16H24ClNO2/c1-3-6-14-13-15(17)7-8-16(14)20-12-5-10-18-9-4-11-19-2/h3,7-8,13,18H,1,4-6,9-12H2,2H3/p+1