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

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-prop-2-enyl-prop-2-ynyl-azanium Openeye Name: allyl-[[4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl]-prop-2-ynyl-ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-prop-2-enyl-prop-2-ynylammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-prop-2-enyl-prop-2-ynylazanium Traditional Name: allyl-[4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-propargyl-ammonium Formula: C24H38N2O3+2 MolecularWeight: 402.57012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+](CC=C)CC#C)OCC(C[NH+]2CCCCCCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+](CC=C)CC#C)OC[C@@H](C[NH+]2CCCCCCC2)O

InChI

InChI=1S/C24H36N2O3/c1-4-13-25(14-5-2)18-21-11-12-23(24(17-21)28-3)29-20-22(27)19-26-15-9-7-6-8-10-16-26/h1,5,11-12,17,22,27H,2,6-10,13-16,18-20H2,3H3/p+2/t22-/m1/s1