(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-phenethylpiperazin-4-ium-1-yl)carbothioyl-azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-phenethylpiperazin-4-ium-1-yl)carbothioyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-phenethylpiperazin-4-ium-1-carbothioyl)ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[(4-phenethyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-phenethylpiperazin-4-ium-1-carbothioyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-phenethylpiperazin-4-ium-1-carbothioyl)ammonium Formula: C23H31N3O2S+2 MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=S)N3CC[NH+](CC3)CCC4=CC=CC=C4)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=S)N3CC[NH+](CC3)CCC4=CC=CC=C4)CC2OC(=C1)O

InChI

InChI=1S/C23H29N3O2S/c1-17-15-22(27)28-21-16-19(7-8-20(17)21)24-23(29)26-13-11-25(12-14-26)10-9-18-5-3-2-4-6-18/h2-6,15,21,27H,7-14,16H2,1H3/p+2