3-methylbutyl-[2-[(1S)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 3-methylbutyl-[2-[(1S)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: isopentyl-[2-[(1S)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]ammonium CAS Name: 3-methylbutyl-[2-[(1S)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]ammonium IUPAC Name: 3-methylbutyl-[2-[(1S)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]azanium Traditional Name: isoamyl-[2-keto-2-[(1S)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]ammonium Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CCN1C(=O)C[NH2+]CCC(C)C

Isomeric SMILES

C[C@H]1C2=CC=CC=C2CCN1C(=O)C[NH2+]CCC(C)C

InChI

InChI=1S/C17H26N2O/c1-13(2)8-10-18-12-17(20)19-11-9-15-6-4-5-7-16(15)14(19)3/h4-7,13-14,18H,8-12H2,1-3H3/p+1/t14-/m0/s1