N-[4-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]sulfonylphenyl]acetamide Formula: C21H22ClN4O3S+ MolecularWeight: 445.94238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C21H21ClN4O3S/c1-15(27)24-17-3-5-18(6-4-17)30(28,29)26-12-10-25(11-13-26)21-8-9-23-20-14-16(22)2-7-19(20)21/h2-9,14H,10-13H2,1H3,(H,24,27)/p+1