(2-methyl-4-oxidanylidene-6-propoxycarbonyl-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium

Systemtic Name: (2-methyl-4-oxidanylidene-6-propoxycarbonyl-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium Openeye Name: diallyl-[(2-methyl-4-oxo-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]ammonium CAS Name: [2-methyl-4-oxo-6-[oxo(propoxy)methyl]-1H-quinolin-3-yl]methyl-bis(prop-2-enyl)ammonium IUPAC Name: (2-methyl-4-oxo-6-propoxycarbonyl-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium Traditional Name: diallyl-[(4-keto-2-methyl-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CC=C)CC=C)C

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CC=C)CC=C)C

InChI

InChI=1S/C21H26N2O3/c1-5-10-23(11-6-2)14-18-15(4)22-19-9-8-16(13-17(19)20(18)24)21(25)26-12-7-3/h5-6,8-9,13H,1-2,7,10-12,14H2,3-4H3,(H,22,24)/p+1