3-cyclopentylpropyl-[[4-methoxy-3-[(2R)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: 3-cyclopentylpropyl-[[4-methoxy-3-[(2R)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: 3-cyclopentylpropyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 3-cyclopentylpropyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 3-cyclopentylpropyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: 3-cyclopentylpropyl-[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-benzyl]ammonium Formula: C25H45N3O3+2 MolecularWeight: 435.6431

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC(COC2=C(C=CC(=C2)C[NH2+]CCCC3CCCC3)OC)O

Isomeric SMILES

CN1CCC[NH+](CC1)C[C@H](COC2=C(C=CC(=C2)C[NH2+]CCCC3CCCC3)OC)O

InChI

InChI=1S/C25H43N3O3/c1-27-13-6-14-28(16-15-27)19-23(29)20-31-25-17-22(10-11-24(25)30-2)18-26-12-5-9-21-7-3-4-8-21/h10-11,17,21,23,26,29H,3-9,12-16,18-20H2,1-2H3/p+2/t23-/m1/s1