[4-methoxy-2-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[(4-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: [4-methoxy-2-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[(4-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[(4-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[[4-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[(4-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(4-pyrazol-1-ylbenzyl)ammonium Formula: C25H34N4O3+2 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CC2=CC=C(C=C2)N3C=CC=N3)OCC(C[NH+]4CCCC4)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CC2=CC=C(C=C2)N3C=CC=N3)OC[C@H](C[NH+]4CCCC4)O

InChI

InChI=1S/C25H32N4O3/c1-31-24-10-7-21(25(15-24)32-19-23(30)18-28-12-2-3-13-28)17-26-16-20-5-8-22(9-6-20)29-14-4-11-27-29/h4-11,14-15,23,26,30H,2-3,12-13,16-19H2,1H3/p+2/t23-/m0/s1