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

Systemtic Name: N-tert-butyl-2-[4-[(2-oxidanylnaphthalen-1-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(2-hydroxy-1-naphthyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(2-hydroxy-1-naphthyl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CC2=C(C=CC3=CC=CC=C32)O

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CC2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C21H29N3O2/c1-21(2,3)22-20(26)15-24-12-10-23(11-13-24)14-18-17-7-5-4-6-16(17)8-9-19(18)25/h4-9,25H,10-15H2,1-3H3,(H,22,26)/p+1