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2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-[(3-methylphenyl)amino]-3-oxidanylidene-propyl]azanium

2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-[(3-methylphenyl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name:2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-[(3-methylphenyl)amino]-3-oxidanylidene-propyl]azanium
Openeye Name:2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-(3-methylanilino)-3-oxo-propyl]ammonium
CAS Name:2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-(3-methylanilino)-3-oxopropyl]ammonium
IUPAC Name:2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-(3-methylanilino)-3-oxopropyl]azanium
Traditional Name:homoveratryl-[3-keto-3-(m-toluidino)propyl]-methyl-ammonium
Formula: C21H29N2O3+
MolecularWeight: 357.46656
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC[NH+](C)CCC2=CC(=C(C=C2)OC)OC


Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CC[NH+](C)CCC2=CC(=C(C=C2)OC)OC


InChI

InChI=1S/C21H28N2O3/c1-16-6-5-7-18(14-16)22-21(24)11-13-23(2)12-10-17-8-9-19(25-3)20(15-17)26-4/h5-9,14-15H,10-13H2,1-4H3,(H,22,24)/p+1


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