(3S)-1-[(6-methyl-2-oxidanylidene-1-prop-2-enyl-quinolin-3-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(6-methyl-2-oxidanylidene-1-prop-2-enyl-quinolin-3-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1-allyl-6-methyl-2-oxo-3-quinolyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(6-methyl-2-oxo-1-prop-2-enyl-3-quinolinyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(6-methyl-2-oxo-1-prop-2-enylquinolin-3-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1-allyl-2-keto-6-methyl-3-quinolyl)methyl]piperidin-1-ium-3-carboxamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH+]3CCCC(C3)C(=O)N)CC=C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH+]3CCC[C@@H](C3)C(=O)N)CC=C

InChI

InChI=1S/C20H25N3O2/c1-3-8-23-18-7-6-14(2)10-16(18)11-17(20(23)25)13-22-9-4-5-15(12-22)19(21)24/h3,6-7,10-11,15H,1,4-5,8-9,12-13H2,2H3,(H2,21,24)/p+1/t15-/m0/s1