N-[4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(2-methylquinolin-1-ium-4-yl)piperazino]sulfonylphenyl]acetamide Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C22H24N4O3S/c1-16-15-22(20-5-3-4-6-21(20)23-16)25-11-13-26(14-12-25)30(28,29)19-9-7-18(8-10-19)24-17(2)27/h3-10,15H,11-14H2,1-2H3,(H,24,27)/p+1