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

Systemtic Name: [(2R,4S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-4-methyl-hexyl]azanium Openeye Name: [(2R,4S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-4-methyl-hexyl]ammonium CAS Name: [(2R,4S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-4-methylhexyl]ammonium IUPAC Name: [(2R,4S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-4-methylhexyl]azanium Traditional Name: [(2R,4S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-4-methyl-hexyl]ammonium Formula: C18H31N2+ MolecularWeight: 275.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)(C[NH3+])N1CCC2=CC=CC=C2C1

Isomeric SMILES

CC[C@H](C)C[C@](CC)(C[NH3+])N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C18H30N2/c1-4-15(3)12-18(5-2,14-19)20-11-10-16-8-6-7-9-17(16)13-20/h6-9,15H,4-5,10-14,19H2,1-3H3/p+1/t15-,18+/m0/s1