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

Systemtic Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(4-methoxycarbonylphenyl)methyl]azanium Openeye Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: [(2S)-2-(dimethylamino)-4-methylpentyl]-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [(2S)-2-(dimethylamino)-4-methylpentyl]-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(2S)-2-(dimethylamino)-4-methyl-pentyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-13(2)10-16(19(3)4)12-18-11-14-6-8-15(9-7-14)17(20)21-5/h6-9,13,16,18H,10-12H2,1-5H3/p+1/t16-/m0/s1