6-azanyl-1-[(3,4,5-trimethoxyphenyl)methyl]quinolin-1-ium-5-carbonitrile chloride

Systemtic Name: 6-azanyl-1-[(3,4,5-trimethoxyphenyl)methyl]quinolin-1-ium-5-carbonitrile chloride Openeye Name: 6-amino-1-[(3,4,5-trimethoxyphenyl)methyl]quinolin-1-ium-5-carbonitrile chloride CAS Name: 6-amino-1-[(3,4,5-trimethoxyphenyl)methyl]-5-quinolin-1-iumcarbonitrile chloride IUPAC Name: 6-amino-1-[(3,4,5-trimethoxyphenyl)methyl]quinolin-1-ium-5-carbonitrile chloride Traditional Name: 6-amino-1-(3,4,5-trimethoxybenzyl)quinolin-1-ium-5-carbonitrile chloride Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[N+]2=CC=CC3=C2C=CC(=C3C#N)N.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[N+]2=CC=CC3=C2C=CC(=C3C#N)N.[Cl-]

InChI

InChI=1S/C20H20N3O3.ClH/c1-24-18-9-13(10-19(25-2)20(18)26-3)12-23-8-4-5-14-15(11-21)16(22)6-7-17(14)23;/h4-10H,12,22H2,1-3H3;1H/q+1;/p-1