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

Systemtic Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-(3-pyrazol-1-ylpropyl)ammonium Formula: C24H40N4O3+2 MolecularWeight: 432.5994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCCN2C=CC=N2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCCN2C=CC=N2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C24H38N4O3/c1-30-23-10-9-21(18-25-11-7-15-28-16-8-12-26-28)17-24(23)31-20-22(29)19-27-13-5-3-2-4-6-14-27/h8-10,12,16-17,22,25,29H,2-7,11,13-15,18-20H2,1H3/p+2/t22-/m1/s1