cyclobutyl-[[3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: cyclobutyl-[[3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: cyclobutyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]ammonium CAS Name: cyclobutyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: cyclobutyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-cyclobutyl-ammonium Formula: C21H34N2O4+2 MolecularWeight: 378.50566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)C[NH2+]C3CCC3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]C3CCC3)O

InChI

InChI=1S/C21H32N2O4/c1-26-21(25)17-8-10-23(11-9-17)14-19(24)15-27-20-7-2-4-16(12-20)13-22-18-5-3-6-18/h2,4,7,12,17-19,22,24H,3,5-6,8-11,13-15H2,1H3/p+2/t19-/m0/s1