[(1R)-1-(4-bromophenyl)propyl]-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(1R)-1-(4-bromophenyl)propyl]-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [(1R)-1-(4-bromophenyl)propyl]-[2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl]ammonium CAS Name: [(1R)-1-(4-bromophenyl)propyl]-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]ammonium IUPAC Name: [(1R)-1-(4-bromophenyl)propyl]-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]azanium Traditional Name: [(1R)-1-(4-bromophenyl)propyl]-[2-(5-carbomethoxy-2-methyl-anilino)-2-keto-ethyl]ammonium Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)[NH2+]CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)[NH2+]CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C20H23BrN2O3/c1-4-17(14-7-9-16(21)10-8-14)22-12-19(24)23-18-11-15(20(25)26-3)6-5-13(18)2/h5-11,17,22H,4,12H2,1-3H3,(H,23,24)/p+1/t17-/m1/s1