methyl (2S)-3-methyl-2-[[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]amino]butyric acid methyl ester Formula: C26H35N2O4+ MolecularWeight: 439.5671

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C26H34N2O4/c1-19(2)24(26(30)31-3)27-25(29)21-9-11-22(12-10-21)32-23-14-17-28(18-15-23)16-13-20-7-5-4-6-8-20/h4-12,19,23-24H,13-18H2,1-3H3,(H,27,29)/p+1/t24-/m0/s1