[3-methoxy-4-(2-methylpropoxy)phenyl]methyl-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]azanium

Systemtic Name: [3-methoxy-4-(2-methylpropoxy)phenyl]methyl-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]azanium Openeye Name: (4-isobutoxy-3-methoxy-phenyl)methyl-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]ammonium CAS Name: [3-methoxy-4-(2-methylpropoxy)phenyl]methyl-[(1R)-1-(1-methyl-3-pyrazolyl)ethyl]ammonium IUPAC Name: [3-methoxy-4-(2-methylpropoxy)phenyl]methyl-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]azanium Traditional Name: (4-isobutoxy-3-methoxy-benzyl)-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]ammonium Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C[NH2+]C(C)C2=NN(C=C2)C)OC

Isomeric SMILES

C[C@H](C1=NN(C=C1)C)[NH2+]CC2=CC(=C(C=C2)OCC(C)C)OC

InChI

InChI=1S/C18H27N3O2/c1-13(2)12-23-17-7-6-15(10-18(17)22-5)11-19-14(3)16-8-9-21(4)20-16/h6-10,13-14,19H,11-12H2,1-5H3/p+1/t14-/m1/s1