methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-(1-veratrylpiperidin-1-ium-4-yl)acetic acid methyl ester Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)CC(=O)OC)OC

InChI

InChI=1S/C17H25NO4/c1-20-15-5-4-14(10-16(15)21-2)12-18-8-6-13(7-9-18)11-17(19)22-3/h4-5,10,13H,6-9,11-12H2,1-3H3/p+1