(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-[2-(2-methylanilino)-2-oxo-ethyl]-propyl-ammonium CAS Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylammonium IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium Traditional Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-[2-keto-2-(o-toluidino)ethyl]-propyl-ammonium Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=C2C(=CC(=C1)Cl)COCO2)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCC[NH+](CC1=C2C(=CC(=C1)Cl)COCO2)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C21H25ClN2O3/c1-3-8-24(12-20(25)23-19-7-5-4-6-15(19)2)11-16-9-18(22)10-17-13-26-14-27-21(16)17/h4-7,9-10H,3,8,11-14H2,1-2H3,(H,23,25)/p+1