N-(5-methyl-1,2-oxazol-3-yl)-4-(quinolin-8-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-4-(quinolin-8-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(5-methylisoxazol-3-yl)-4-(8-quinolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(5-methyl-3-isoxazolyl)-4-(8-quinolinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-4-(quinolin-8-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(5-methylisoxazol-3-yl)-4-(8-quinolylmethyl)piperazin-4-ium-1-carboxamide Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C19H21N5O2/c1-14-12-17(22-26-14)21-19(25)24-10-8-23(9-11-24)13-16-5-2-4-15-6-3-7-20-18(15)16/h2-7,12H,8-11,13H2,1H3,(H,21,22,25)/p+1