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

Systemtic Name: [4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-piperidin-1-ylethyl)azanium Openeye Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-[2-(1-piperidyl)ethyl]ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-[2-(1-piperidinyl)ethyl]ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-piperidin-1-ylethyl)azanium Traditional Name: [4-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(2-piperidinoethyl)ammonium Formula: C24H41N3O4+2 MolecularWeight: 435.60004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH2+]CCN3CCCCC3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH2+]CCN3CCCCC3)O

InChI

InChI=1S/C24H39N3O4/c1-30-24(29)21-9-14-27(15-10-21)18-22(28)19-31-23-7-5-20(6-8-23)17-25-11-16-26-12-3-2-4-13-26/h5-8,21-22,25,28H,2-4,9-19H2,1H3/p+2/t22-/m0/s1