[2-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(dicyclopropylmethyl)azanium

Systemtic Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(dicyclopropylmethyl)azanium Openeye Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-(dicyclopropylmethyl)ammonium CAS Name: [2-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(dicyclopropylmethyl)ammonium IUPAC Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(dicyclopropylmethyl)azanium Traditional Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-(dicyclopropylmethyl)ammonium Formula: C25H42N2O3+2 MolecularWeight: 418.61258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]C(C2CC2)C3CC3)OCC(C[NH+]4CCCCCCC4)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]C(C2CC2)C3CC3)OC[C@@H](C[NH+]4CCCCCCC4)O

InChI

InChI=1S/C25H40N2O3/c1-29-23-12-11-21(16-26-25(19-7-8-19)20-9-10-20)24(15-23)30-18-22(28)17-27-13-5-3-2-4-6-14-27/h11-12,15,19-20,22,25-26,28H,2-10,13-14,16-18H2,1H3/p+2/t22-/m1/s1