N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-3-quinolin-1-iumyl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-1-ium-3-yl]methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-4-pyrazol-1-yl-benzamide Formula: C26H28N5O+ MolecularWeight: 426.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)C4=CC=C(C=C4)N5C=CC=N5)N(C)C

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)C4=CC=C(C=C4)N5C=CC=N5)N(C)C

InChI

InChI=1S/C26H27N5O/c1-18-5-6-20-16-21(25(29(2)3)28-24(20)15-18)17-30(22-11-12-22)26(32)19-7-9-23(10-8-19)31-14-4-13-27-31/h4-10,13-16,22H,11-12,17H2,1-3H3/p+1