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

Systemtic Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-(2-thienylmethyl)ammonium CAS Name: [2-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-(2-thenyl)ammonium Formula: C23H36N2O3S+2 MolecularWeight: 420.60854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CC2=CC=CS2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CC2=CC=CS2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C23H34N2O3S/c1-27-21-10-9-19(15-24-16-22-8-7-13-29-22)23(14-21)28-18-20(26)17-25-11-5-3-2-4-6-12-25/h7-10,13-14,20,24,26H,2-6,11-12,15-18H2,1H3/p+2/t20-/m1/s1