5,7,8-trimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 5,7,8-trimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 5,7,8-trimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 5,7,8-trimethyl-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 5,7,8-trimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 5,7,8-trimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C2=C1C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C23H26N2O2/c1-16-13-17(2)22-19(14-21(26)27-23(22)18(16)3)15-24-9-11-25(12-10-24)20-7-5-4-6-8-20/h4-8,13-14H,9-12,15H2,1-3H3/p+1