methyl 2-[methyl-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]carbonyl-amino]ethanoate

Systemtic Name: methyl 2-[methyl-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]carbonyl-amino]ethanoate Openeye Name: methyl 2-[methyl-[5-methyl-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]acetate CAS Name: 2-[methyl-[[5-methyl-2-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]amino]acetate Traditional Name: 2-[methyl-[5-methyl-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]acetic acid methyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)N(C)CC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)N(C)CC(=O)OC

InChI

InChI=1S/C23H29N3O4/c1-17-4-5-21(20(14-17)23(28)25(2)16-22(27)29-3)30-19-8-12-26(13-9-19)15-18-6-10-24-11-7-18/h4-7,10-11,14,19H,8-9,12-13,15-16H2,1-3H3/p+1