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

Systemtic Name: [3-[(2S)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(2-methylpropyl)azanium Openeye Name: [3-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-isobutyl-ammonium CAS Name: [3-[(2S)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(2-methylpropyl)ammonium IUPAC Name: [3-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(2-methylpropyl)azanium Traditional Name: [3-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-isobutyl-ammonium Formula: C22H40N2O3+2 MolecularWeight: 380.5646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N2O3/c1-18(2)14-23-15-19-9-10-21(26-3)22(13-19)27-17-20(25)16-24-11-7-5-4-6-8-12-24/h9-10,13,18,20,23,25H,4-8,11-12,14-17H2,1-3H3/p+2/t20-/m0/s1