(4-aminocarbonylphenyl)methyl-cyclopropyl-[3-(3,4-dimethylphenoxy)propyl]azanium

Systemtic Name: (4-aminocarbonylphenyl)methyl-cyclopropyl-[3-(3,4-dimethylphenoxy)propyl]azanium Openeye Name: (4-carbamoylphenyl)methyl-cyclopropyl-[3-(3,4-dimethylphenoxy)propyl]ammonium CAS Name: (4-carbamoylphenyl)methyl-cyclopropyl-[3-(3,4-dimethylphenoxy)propyl]ammonium IUPAC Name: (4-carbamoylphenyl)methyl-cyclopropyl-[3-(3,4-dimethylphenoxy)propyl]azanium Traditional Name: (4-carbamoylbenzyl)-cyclopropyl-[3-(3,4-dimethylphenoxy)propyl]ammonium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCC[NH+](CC2=CC=C(C=C2)C(=O)N)C3CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCC[NH+](CC2=CC=C(C=C2)C(=O)N)C3CC3)C

InChI

InChI=1S/C22H28N2O2/c1-16-4-11-21(14-17(16)2)26-13-3-12-24(20-9-10-20)15-18-5-7-19(8-6-18)22(23)25/h4-8,11,14,20H,3,9-10,12-13,15H2,1-2H3,(H2,23,25)/p+1