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

Systemtic Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-cyclopropyl-azanium Openeye Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-cyclopropyl-ammonium CAS Name: [3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-cyclopropylammonium IUPAC Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-cyclopropylazanium Traditional Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-cyclopropyl-ammonium Formula: C21H36N2O3+2 MolecularWeight: 364.52214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CC2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2CC2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C21H34N2O3/c1-25-20-10-7-17(14-22-18-8-9-18)13-21(20)26-16-19(24)15-23-11-5-3-2-4-6-12-23/h7,10,13,18-19,22,24H,2-6,8-9,11-12,14-16H2,1H3/p+2/t19-/m1/s1