3-[2-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-yl]propanoate

Systemtic Name: 3-[2-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-yl]propanoate Openeye Name: 3-[2-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-yl]propanoate CAS Name: 3-[2-methyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-quinolin-1-iumyl]propanoate IUPAC Name: 3-[2-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-yl]propanoate Traditional Name: 3-[2-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-yl]propionate Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1CCC(=O)[O-])NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1CCC(=O)[O-])NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H25N3O3/c1-14-15(6-7-18(23)24)19(16-4-2-3-5-17(16)21-14)20-8-9-22-10-12-25-13-11-22/h2-5H,6-13H2,1H3,(H,20,21)(H,23,24)/p+1