heptan-4-yl-[(1R)-1-(2-methylphenyl)ethyl]azanium

Systemtic Name: heptan-4-yl-[(1R)-1-(2-methylphenyl)ethyl]azanium Openeye Name: [(1R)-1-(o-tolyl)ethyl]-(1-propylbutyl)ammonium CAS Name: heptan-4-yl-[(1R)-1-(2-methylphenyl)ethyl]ammonium IUPAC Name: heptan-4-yl-[(1R)-1-(2-methylphenyl)ethyl]azanium Traditional Name: [(1R)-1-(o-tolyl)ethyl]-(1-propylbutyl)ammonium Formula: C16H28N+ MolecularWeight: 234.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)[NH2+]C(C)C1=CC=CC=C1C

Isomeric SMILES

CCCC(CCC)[NH2+][C@H](C)C1=CC=CC=C1C

InChI

InChI=1S/C16H27N/c1-5-9-15(10-6-2)17-14(4)16-12-8-7-11-13(16)3/h7-8,11-12,14-15,17H,5-6,9-10H2,1-4H3/p+1/t14-/m1/s1