N-(1-but-2-ynyl-2-methyl-quinolin-1-ium-6-yl)-2H-benzotriazole-5-carboxamide

Systemtic Name: N-(1-but-2-ynyl-2-methyl-quinolin-1-ium-6-yl)-2H-benzotriazole-5-carboxamide Openeye Name: N-(1-but-2-ynyl-2-methyl-quinolin-1-ium-6-yl)-2H-benzotriazole-5-carboxamide CAS Name: N-(1-but-2-ynyl-2-methyl-6-quinolin-1-iumyl)-2H-benzotriazole-5-carboxamide IUPAC Name: N-(1-but-2-ynyl-2-methylquinolin-1-ium-6-yl)-2H-benzotriazole-5-carboxamide Traditional Name: N-(1-but-2-ynyl-2-methyl-quinolin-1-ium-6-yl)-2H-benzotriazole-5-carboxamide Formula: C21H18N5O+ MolecularWeight: 356.40052

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC[N+]1=C(C=CC2=C1C=CC(=C2)NC(=O)C3=CC4=NNN=C4C=C3)C

Isomeric SMILES

CC#CC[N+]1=C(C=CC2=C1C=CC(=C2)NC(=O)C3=CC4=NNN=C4C=C3)C

InChI

InChI=1S/C21H17N5O/c1-3-4-11-26-14(2)5-6-15-12-17(8-10-20(15)26)22-21(27)16-7-9-18-19(13-16)24-25-23-18/h5-10,12-13H,11H2,1-2H3,(H-,22,23,24,25,27)/p+1