4-methyl-3-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1H-quinolin-2-one

Systemtic Name: 4-methyl-3-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1H-quinolin-2-one Openeye Name: 3-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-4-methyl-1H-quinolin-2-one CAS Name: 4-methyl-3-[[5-[2-(1-piperidin-1-iumyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1H-quinolin-2-one IUPAC Name: 4-methyl-3-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1H-quinolin-2-one Traditional Name: 3-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]thio]-4-methyl-carbostyril Formula: C22H28N5OS+ MolecularWeight: 410.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC2=CC=CC=C12)SC3=NN=C(N3CC=C)CC[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=O)NC2=CC=CC=C12)SC3=NN=C(N3CC=C)CC[NH+]4CCCCC4

InChI

InChI=1S/C22H27N5OS/c1-3-12-27-19(11-15-26-13-7-4-8-14-26)24-25-22(27)29-20-16(2)17-9-5-6-10-18(17)23-21(20)28/h3,5-6,9-10H,1,4,7-8,11-15H2,2H3,(H,23,28)/p+1