methyl N-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazol-1-ium-4-yl]carbamate

Systemtic Name: methyl N-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazol-1-ium-4-yl]carbamate Openeye Name: methyl N-[1-[(5-bromo-2-methoxy-phenyl)methyl]-1-isobutyl-3,5-dimethyl-pyrazol-1-ium-4-yl]carbamate CAS Name: N-[1-[(5-bromo-2-methoxyphenyl)methyl]-3,5-dimethyl-1-(2-methylpropyl)-4-pyrazol-1-iumyl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[(5-bromo-2-methoxyphenyl)methyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazol-1-ium-4-yl]carbamate Traditional Name: N-[1-(5-bromo-2-methoxy-benzyl)-1-isobutyl-3,5-dimethyl-pyrazol-1-ium-4-yl]carbamic acid methyl ester Formula: C19H27BrN3O3+ MolecularWeight: 425.33998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=N[N+]1(CC2=C(C=CC(=C2)Br)OC)CC(C)C)C)NC(=O)OC

Isomeric SMILES

CC1=C(C(=N[N+]1(CC2=C(C=CC(=C2)Br)OC)CC(C)C)C)NC(=O)OC

InChI

InChI=1S/C19H26BrN3O3/c1-12(2)10-23(11-15-9-16(20)7-8-17(15)25-5)14(4)18(13(3)22-23)21-19(24)26-6/h7-9,12H,10-11H2,1-6H3/p+1