3-nitro-N-propan-2-yl-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]benzamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]benzamide Openeye Name: N-isopropyl-3-nitro-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]benzamide CAS Name: 3-nitro-N-propan-2-yl-4-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]benzamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]benzamide Traditional Name: N-isopropyl-3-nitro-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]benzamide Formula: C24H28N5O3+ MolecularWeight: 434.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O3/c1-17(2)26-24(30)19-8-9-21(22(15-19)29(31)32)28-13-11-27(12-14-28)16-20-6-3-5-18-7-4-10-25-23(18)20/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,30)/p+1