7-methyl-2-oxidanyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-6,7,8,8a-tetrahydrochromen-5-one

Systemtic Name: 7-methyl-2-oxidanyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-6,7,8,8a-tetrahydrochromen-5-one Openeye Name: 2-hydroxy-7-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-6,7,8,8a-tetrahydrochromen-5-one CAS Name: 2-hydroxy-7-methyl-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-6,7,8,8a-tetrahydro-1-benzopyran-5-one IUPAC Name: 2-hydroxy-7-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-6,7,8,8a-tetrahydrochromen-5-one Traditional Name: 2-hydroxy-7-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-6,7,8,8a-tetrahydrochromen-5-one Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(=C(C=C(O2)O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C(=O)C1

Isomeric SMILES

CC1CC2C(=C(C=C(O2)O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C(=O)C1

InChI

InChI=1S/C21H26N2O3/c1-15-11-18(24)21-16(13-20(25)26-19(21)12-15)14-22-7-9-23(10-8-22)17-5-3-2-4-6-17/h2-6,13,15,19,25H,7-12,14H2,1H3/p+1