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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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