N-(phenylmethyl)-2-[4-(2-propan-2-ylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[4-(2-propan-2-ylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-(2-isopropylquinoline-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-(2-propan-2-yl-4-quinolinyl)methyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-isopropylquinoline-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2/c1-19(2)24-16-22(21-10-6-7-11-23(21)28-24)26(32)30-14-12-29(13-15-30)18-25(31)27-17-20-8-4-3-5-9-20/h3-11,16,19H,12-15,17-18H2,1-2H3,(H,27,31)/p+1