methyl (2R)-2-[[1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[[1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[[1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[1-(4-ethoxy-3-methoxy-benzyl)piperidin-1-ium-4-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C23H37N2O5+ MolecularWeight: 421.55028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC(CC(C)C)C(=O)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)N[C@H](CC(C)C)C(=O)OC)OC

InChI

InChI=1S/C23H36N2O5/c1-6-30-20-8-7-17(14-21(20)28-4)15-25-11-9-18(10-12-25)22(26)24-19(13-16(2)3)23(27)29-5/h7-8,14,16,18-19H,6,9-13,15H2,1-5H3,(H,24,26)/p+1/t19-/m1/s1