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

Systemtic Name: [4-[(2S)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(3-ethoxypropyl)azanium Openeye Name: [4-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(3-ethoxypropyl)ammonium CAS Name: [4-[(2S)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(3-ethoxypropyl)ammonium IUPAC Name: [4-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(3-ethoxypropyl)azanium Traditional Name: [4-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(3-ethoxypropyl)ammonium Formula: C23H42N2O4+2 MolecularWeight: 410.59058

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[NH2+]CC1=CC(=C(C=C1)OCC(C[NH+]2CCCCCCC2)O)OC

Isomeric SMILES

CCOCCC[NH2+]CC1=CC(=C(C=C1)OC[C@H](C[NH+]2CCCCCCC2)O)OC

InChI

InChI=1S/C23H40N2O4/c1-3-28-15-9-12-24-17-20-10-11-22(23(16-20)27-2)29-19-21(26)18-25-13-7-5-4-6-8-14-25/h10-11,16,21,24,26H,3-9,12-15,17-19H2,1-2H3/p+2/t21-/m0/s1