(4-methoxycarbonylphenyl)methyl-[(2R)-6-methylheptan-2-yl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[(2R)-6-methylheptan-2-yl]azanium Openeye Name: [(1R)-1,5-dimethylhexyl]-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[(2R)-6-methylheptan-2-yl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[(2R)-6-methylheptan-2-yl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(1R)-1,5-dimethylhexyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)[NH2+]CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

C[C@H](CCCC(C)C)[NH2+]CC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C17H27NO2/c1-13(2)6-5-7-14(3)18-12-15-8-10-16(11-9-15)17(19)20-4/h8-11,13-14,18H,5-7,12H2,1-4H3/p+1/t14-/m1/s1