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

Systemtic Name: [4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]-methyl-ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]-methylazanium Traditional Name: benzyl-[4-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-methyl-ammonium Formula: C25H36N2O4+2 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC=C(C=C2)OCC(C[NH+]3CCC(CC3)C(=O)OC)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC=C(C=C2)OC[C@H](C[NH+]3CCC(CC3)C(=O)OC)O

InChI

InChI=1S/C25H34N2O4/c1-26(16-20-6-4-3-5-7-20)17-21-8-10-24(11-9-21)31-19-23(28)18-27-14-12-22(13-15-27)25(29)30-2/h3-11,22-23,28H,12-19H2,1-2H3/p+2/t23-/m0/s1