(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[(4-methylphenyl)methyl]azanium Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-(p-tolylmethyl)ammonium CAS Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[(4-methylphenyl)methyl]azanium Traditional Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-(4-methylbenzyl)ammonium Formula: C17H19ClNO2+ MolecularWeight: 304.79126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]CC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+]CC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C17H18ClNO2/c1-12-2-4-13(5-3-12)10-19-11-14-8-15(18)17-16(9-14)20-6-7-21-17/h2-5,8-9,19H,6-7,10-11H2,1H3/p+1