[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]carbothioyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: (4-benzhydrylpiperazine-1-carbothioyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: (4-benzhydrylpiperazine-1-carbothioyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: (4-benzhydrylpiperazine-1-carbothioyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C28H32N3O2S+ MolecularWeight: 474.63758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=S)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=S)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CC2OC(=C1)O

InChI

InChI=1S/C28H31N3O2S/c1-20-18-26(32)33-25-19-23(12-13-24(20)25)29-28(34)31-16-14-30(15-17-31)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,18,25,27,32H,12-17,19H2,1H3/p+1