(4-methoxycarbonylphenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(1R)-1-(4-mesylphenyl)ethyl]ammonium Formula: C18H22NO4S+ MolecularWeight: 348.43658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H21NO4S/c1-13(15-8-10-17(11-9-15)24(3,21)22)19-12-14-4-6-16(7-5-14)18(20)23-2/h4-11,13,19H,12H2,1-3H3/p+1/t13-/m1/s1