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

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(1-phenylcyclopropyl)azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(1-phenylcyclopropyl)ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(1-phenylcyclopropyl)ammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(1-phenylcyclopropyl)azanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(1-phenylcyclopropyl)ammonium Formula: C27H40N2O3+2 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2(CC2)C3=CC=CC=C3)OCC(C[NH+]4CCCCCCC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2(CC2)C3=CC=CC=C3)OC[C@@H](C[NH+]4CCCCCCC4)O

InChI

InChI=1S/C27H38N2O3/c1-31-26-18-22(19-28-27(14-15-27)23-10-6-5-7-11-23)12-13-25(26)32-21-24(30)20-29-16-8-3-2-4-9-17-29/h5-7,10-13,18,24,28,30H,2-4,8-9,14-17,19-21H2,1H3/p+2/t24-/m1/s1