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

Systemtic Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-cyclopentyl-azanium Openeye Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-cyclopentyl-ammonium CAS Name: [3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-cyclopentylammonium IUPAC Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-cyclopentylazanium Traditional Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-cyclopentyl-ammonium Formula: C23H40N2O3+2 MolecularWeight: 392.5753

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CCCC2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2CCCC2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C23H38N2O3/c1-27-22-12-11-19(16-24-20-9-5-6-10-20)15-23(22)28-18-21(26)17-25-13-7-3-2-4-8-14-25/h11-12,15,20-21,24,26H,2-10,13-14,16-18H2,1H3/p+2/t21-/m1/s1