ethyl 4-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(4-hydroxy-3-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-hydroxy-3-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-vanillylpiperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H23N2O4+ MolecularWeight: 295.35412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-3-21-15(19)17-8-6-16(7-9-17)11-12-4-5-13(18)14(10-12)20-2/h4-5,10,18H,3,6-9,11H2,1-2H3/p+1