N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-2-(3-methylpyrazol-1-yl)ethanamide

Systemtic Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-2-(3-methylpyrazol-1-yl)ethanamide Openeye Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide CAS Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-3-quinolin-1-iumyl]methyl]-2-(3-methyl-1-pyrazolyl)acetamide IUPAC Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-1-ium-3-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide Traditional Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)CN4C=CC(=N4)C)N(C)C

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)CN4C=CC(=N4)C)N(C)C

InChI

InChI=1S/C22H27N5O/c1-15-5-6-17-12-18(22(25(3)4)23-20(17)11-15)13-27(19-7-8-19)21(28)14-26-10-9-16(2)24-26/h5-6,9-12,19H,7-8,13-14H2,1-4H3/p+1