methyl-[(2-methyl-4-oxidanyl-7-oxidanylidene-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(2-methyl-4-oxidanyl-7-oxidanylidene-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(4-hydroxy-2-methyl-7-oxo-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl]-methyl-ammonium CAS Name: (4-hydroxy-2-methyl-7-oxo-3-phenyl-5,6,8,8a-tetrahydro-1-benzopyran-8-yl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-hydroxy-2-methyl-7-oxo-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl]-methylazanium Traditional Name: benzyl-[(4-hydroxy-7-keto-2-methyl-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl]-methyl-ammonium Formula: C25H28NO3+ MolecularWeight: 390.49472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)CC3=CC=CC=C3)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)CC3=CC=CC=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C25H27NO3/c1-17-23(19-11-7-4-8-12-19)24(28)20-13-14-22(27)21(25(20)29-17)16-26(2)15-18-9-5-3-6-10-18/h3-12,21,25,28H,13-16H2,1-2H3/p+1