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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N2O4/c1-23(2,28-4)18-24-15-19-10-11-21(27-3)14-22(19)29-17-20(26)16-25-12-8-6-5-7-9-13-25/h10-11,14,20,24,26H,5-9,12-13,15-18H2,1-4H3/p+2/t20-/m0/s1