[(2R,3S)-3-ethyl-1-quinolin-1-ium-2-yl-heptan-2-yl]azanium

Systemtic Name: [(2R,3S)-3-ethyl-1-quinolin-1-ium-2-yl-heptan-2-yl]azanium Openeye Name: [(1R,2S)-2-ethyl-1-(quinolin-1-ium-2-ylmethyl)hexyl]ammonium CAS Name: [(2R,3S)-3-ethyl-1-(2-quinolin-1-iumyl)heptan-2-yl]ammonium IUPAC Name: [(2R,3S)-3-ethyl-1-quinolin-1-ium-2-ylheptan-2-yl]azanium Traditional Name: [(1R,2S)-2-ethyl-1-(quinolin-1-ium-2-ylmethyl)hexyl]ammonium Formula: C18H28N2+2 MolecularWeight: 272.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(CC1=[NH+]C2=CC=CC=C2C=C1)[NH3+]

Isomeric SMILES

CCCC[C@H](CC)[C@@H](CC1=[NH+]C2=CC=CC=C2C=C1)[NH3+]

InChI

InChI=1S/C18H26N2/c1-3-5-8-14(4-2)17(19)13-16-12-11-15-9-6-7-10-18(15)20-16/h6-7,9-12,14,17H,3-5,8,13,19H2,1-2H3/p+2/t14-,17+/m0/s1