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

Systemtic Name: [4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [4-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C23H40N3O4+3 MolecularWeight: 422.5814

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)OCC(C[NH+]3CCC(CC3)C(=O)OC)O

Isomeric SMILES

C[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)OC[C@H](C[NH+]3CCC(CC3)C(=O)OC)O

InChI

InChI=1S/C23H37N3O4/c1-25-11-9-20(10-12-25)24-15-18-3-5-22(6-4-18)30-17-21(27)16-26-13-7-19(8-14-26)23(28)29-2/h3-6,19-21,24,27H,7-17H2,1-2H3/p+3/t21-/m0/s1