N-[3-[(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)carbamoylamino]propyl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[3-[(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)carbamoylamino]propyl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[3-[(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)carbamoylamino]propyl]-2H-benzotriazole-5-carboxamide CAS Name: N-[3-[[[(2-methyl-1-prop-2-ynyl-6-quinolin-1-iumyl)amino]-oxomethyl]amino]propyl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[3-[(2-methyl-1-prop-2-ynylquinolin-1-ium-6-yl)carbamoylamino]propyl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[3-[(2-methyl-1-propargyl-quinolin-1-ium-6-yl)carbamoylamino]propyl]-2H-benzotriazole-5-carboxamide Formula: C24H24N7O2+ MolecularWeight: 442.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=O)NCCCNC(=O)C3=CC4=NNN=C4C=C3)CC#C

Isomeric SMILES

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=O)NCCCNC(=O)C3=CC4=NNN=C4C=C3)CC#C

InChI

InChI=1S/C24H23N7O2/c1-3-13-31-16(2)5-6-17-14-19(8-10-22(17)31)27-24(33)26-12-4-11-25-23(32)18-7-9-20-21(15-18)29-30-28-20/h1,5-10,14-15H,4,11-13H2,2H3,(H3-,25,26,27,28,29,30,32,33)/p+1