1-(azepan-1-yl)-2-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(5-methyl-3-phenyl-isoxazole-4-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(5-methyl-3-phenyl-isoxazole-4-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H30N4O3/c1-18-21(22(24-30-18)19-9-5-4-6-10-19)23(29)27-15-13-25(14-16-27)17-20(28)26-11-7-2-3-8-12-26/h4-6,9-10H,2-3,7-8,11-17H2,1H3/p+1