(3-azanyl-4-methoxy-phenyl)methyl-(2-cyanoethyl)-methyl-azanium

Systemtic Name: (3-azanyl-4-methoxy-phenyl)methyl-(2-cyanoethyl)-methyl-azanium Openeye Name: (3-amino-4-methoxy-phenyl)methyl-(2-cyanoethyl)-methyl-ammonium CAS Name: (3-amino-4-methoxyphenyl)methyl-(2-cyanoethyl)-methylammonium IUPAC Name: (3-amino-4-methoxyphenyl)methyl-(2-cyanoethyl)-methylazanium Traditional Name: (3-amino-4-methoxy-benzyl)-(2-cyanoethyl)-methyl-ammonium Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)CC1=CC(=C(C=C1)OC)N

Isomeric SMILES

C[NH+](CCC#N)CC1=CC(=C(C=C1)OC)N

InChI

InChI=1S/C12H17N3O/c1-15(7-3-6-13)9-10-4-5-12(16-2)11(14)8-10/h4-5,8H,3,7,9,14H2,1-2H3/p+1