1-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 1-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-[4-[(6-chloro-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazin-4-ium-1-yl]butan-1-one CAS Name: 1-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-pyridin-4-yl-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-[4-(6-chloronaphthalen-2-yl)sulfonyl-4-pyridin-4-ylpiperazin-4-ium-1-yl]butan-1-one Traditional Name: 1-[4-[(6-chloro-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazin-4-ium-1-yl]butan-1-one Formula: C23H25ClN3O3S+ MolecularWeight: 458.9809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC[N+](CC1)(C2=CC=NC=C2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CCCC(=O)N1CC[N+](CC1)(C2=CC=NC=C2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN3O3S/c1-2-3-23(28)26-12-14-27(15-13-26,21-8-10-25-11-9-21)31(29,30)22-7-5-18-16-20(24)6-4-19(18)17-22/h4-11,16-17H,2-3,12-15H2,1H3/q+1