N-tert-butyl-2-[4-(1-oxidanylnaphthalen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(1-oxidanylnaphthalen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(1-hydroxynaphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(1-hydroxy-2-naphthalenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(1-hydroxynaphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(1-hydroxy-2-naphthoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3C=C2)O

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3C=C2)O

InChI

InChI=1S/C21H27N3O3/c1-21(2,3)22-18(25)14-23-10-12-24(13-11-23)20(27)17-9-8-15-6-4-5-7-16(15)19(17)26/h4-9,26H,10-14H2,1-3H3,(H,22,25)/p+1