4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-8-methyl-coumarin Formula: C28H29N2O3+ MolecularWeight: 441.54146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C28H28N2O3/c1-20-25(31)13-12-24-23(18-26(32)33-28(20)24)19-29-14-16-30(17-15-29)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,27,31H,14-17,19H2,1H3/p+1