3-[4-(3-methylbutoxy)phenyl]-N-(4-methyl-2-morpholin-4-yl-quinolin-1-ium-6-yl)prop-2-enamide

Systemtic Name: 3-[4-(3-methylbutoxy)phenyl]-N-(4-methyl-2-morpholin-4-yl-quinolin-1-ium-6-yl)prop-2-enamide Openeye Name: 3-(4-isopentyloxyphenyl)-N-(4-methyl-2-morpholino-quinolin-1-ium-6-yl)prop-2-enamide CAS Name: 3-[4-(3-methylbutoxy)phenyl]-N-[4-methyl-2-(4-morpholinyl)-6-quinolin-1-iumyl]-2-propenamide IUPAC Name: 3-[4-(3-methylbutoxy)phenyl]-N-(4-methyl-2-morpholin-4-ylquinolin-1-ium-6-yl)prop-2-enamide Traditional Name: 3-(4-isoamoxyphenyl)-N-(4-methyl-2-morpholino-quinolin-1-ium-6-yl)acrylamide Formula: C28H34N3O3+ MolecularWeight: 460.58786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)OCCC(C)C)N4CCOCC4

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)OCCC(C)C)N4CCOCC4

InChI

InChI=1S/C28H33N3O3/c1-20(2)12-15-34-24-8-4-22(5-9-24)6-11-28(32)29-23-7-10-26-25(19-23)21(3)18-27(30-26)31-13-16-33-17-14-31/h4-11,18-20H,12-17H2,1-3H3,(H,29,32)/p+1