1'-[(4-tert-butylphenyl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidin-1-ium]-4-one

Systemtic Name: 1'-[(4-tert-butylphenyl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidin-1-ium]-4-one Openeye Name: 1'-[(4-tert-butylphenyl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidin-1-ium]-4-one CAS Name: 1'-[(4-tert-butylphenyl)methyl]-4-spiro[3H-1,3-benzoxazine-2,4'-piperidin-1-ium]one IUPAC Name: 1'-[(4-tert-butylphenyl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidin-1-ium]-4-one Traditional Name: 1'-(4-tert-butylbenzyl)spiro[3H-1,3-benzoxazine-2,4'-piperidin-1-ium]-4-one Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCC3(CC2)NC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCC3(CC2)NC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C23H28N2O2/c1-22(2,3)18-10-8-17(9-11-18)16-25-14-12-23(13-15-25)24-21(26)19-6-4-5-7-20(19)27-23/h4-11H,12-16H2,1-3H3,(H,24,26)/p+1