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

Systemtic Name: 3-cyclopentylpropyl-[[4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: 3-cyclopentylpropyl-[[4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]ammonium CAS Name: 3-cyclopentylpropyl-[[4-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 3-cyclopentylpropyl-[[4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Traditional Name: [4-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(3-cyclopentylpropyl)ammonium Formula: C25H42N2O4+2 MolecularWeight: 434.61198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH2+]CCCC3CCCC3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH2+]CCCC3CCCC3)O

InChI

InChI=1S/C25H40N2O4/c1-30-25(29)22-12-15-27(16-13-22)18-23(28)19-31-24-10-8-21(9-11-24)17-26-14-4-7-20-5-2-3-6-20/h8-11,20,22-23,26,28H,2-7,12-19H2,1H3/p+2/t23-/m0/s1