[(2S)-2-(dimethylamino)-3-methyl-butyl]-[(4-methoxycarbonylphenyl)methyl]azanium

Systemtic Name: [(2S)-2-(dimethylamino)-3-methyl-butyl]-[(4-methoxycarbonylphenyl)methyl]azanium Openeye Name: [(2S)-2-(dimethylamino)-3-methyl-butyl]-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: [(2S)-2-(dimethylamino)-3-methylbutyl]-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [(2S)-2-(dimethylamino)-3-methylbutyl]-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(2S)-2-(dimethylamino)-3-methyl-butyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-12(2)15(18(3)4)11-17-10-13-6-8-14(9-7-13)16(19)20-5/h6-9,12,15,17H,10-11H2,1-5H3/p+1/t15-/m1/s1