[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazino]-(2-methyl-5-pyrrolidinosulfonyl-phenyl)methanone Formula: C25H28ClN4O3S+ MolecularWeight: 500.03282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl

InChI

InChI=1S/C25H27ClN4O3S/c1-18-4-6-20(34(32,33)30-10-2-3-11-30)17-22(18)25(31)29-14-12-28(13-15-29)24-8-9-27-23-16-19(26)5-7-21(23)24/h4-9,16-17H,2-3,10-15H2,1H3/p+1