dimethyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylamino]butanedioate

Systemtic Name: dimethyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylamino]butanedioate Openeye Name: dimethyl (2S)-2-[[3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-benzoyl]amino]butanedioate CAS Name: (2S)-2-[[[4-methoxy-3-[(1-propan-2-yl-4-piperidin-1-iumyl)oxy]phenyl]-oxomethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxybenzoyl]amino]butanedioate Traditional Name: (2S)-2-[[3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-benzoyl]amino]succinic acid dimethyl ester Formula: C22H33N2O7+ MolecularWeight: 437.50662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)C(=O)NC(CC(=O)OC)C(=O)OC)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)C(=O)N[C@@H](CC(=O)OC)C(=O)OC)OC

InChI

InChI=1S/C22H32N2O7/c1-14(2)24-10-8-16(9-11-24)31-19-12-15(6-7-18(19)28-3)21(26)23-17(22(27)30-5)13-20(25)29-4/h6-7,12,14,16-17H,8-11,13H2,1-5H3,(H,23,26)/p+1/t17-/m0/s1