[(2R)-3-[2-methoxy-5-[[(1-phenylcyclopentyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-5-[[(1-phenylcyclopentyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(1-phenylcyclopentyl)methylammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(1-phenylcyclopentyl)methylammonio]methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(1-phenylcyclopentyl)methylazaniumyl]methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(1-phenylcyclopentyl)methylammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C27H42N2O3+2 MolecularWeight: 442.63398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=CC(=C1)C[NH2+]CC2(CCCC2)C3=CC=CC=C3)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=CC(=C1)C[NH2+]CC2(CCCC2)C3=CC=CC=C3)OC)O

InChI

InChI=1S/C27H40N2O3/c1-21(2)29(3)18-24(30)19-32-26-16-22(12-13-25(26)31-4)17-28-20-27(14-8-9-15-27)23-10-6-5-7-11-23/h5-7,10-13,16,21,24,28,30H,8-9,14-15,17-20H2,1-4H3/p+2/t24-/m1/s1