8-methyl-7-oxidanyl-4-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[[4-phenyl-5-[(1S)-1-(1-piperidin-1-iumyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C26H29N4O3S+ MolecularWeight: 477.59846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C4=CC=CC=C4)C(C)[NH+]5CCCCC5)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C4=CC=CC=C4)[C@H](C)[NH+]5CCCCC5)O

InChI

InChI=1S/C26H28N4O3S/c1-17-22(31)12-11-21-19(15-23(32)33-24(17)21)16-34-26-28-27-25(18(2)29-13-7-4-8-14-29)30(26)20-9-5-3-6-10-20/h3,5-6,9-12,15,18,31H,4,7-8,13-14,16H2,1-2H3/p+1/t18-/m0/s1