ethyl 4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(4-methoxy-2,3-dimethyl-benzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H27N2O3+ MolecularWeight: 307.40788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(C(=C(C=C2)OC)C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(C(=C(C=C2)OC)C)C

InChI

InChI=1S/C17H26N2O3/c1-5-22-17(20)19-10-8-18(9-11-19)12-15-6-7-16(21-4)14(3)13(15)2/h6-7H,5,8-12H2,1-4H3/p+1