4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-methyl-1-[(1-pyridin-4-ylpiperidin-1-ium-1-yl)amino]piperazin-2-one dihydrochloride

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-methyl-1-[(1-pyridin-4-ylpiperidin-1-ium-1-yl)amino]piperazin-2-one dihydrochloride Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-6-methyl-1-[[1-(4-pyridyl)piperidin-1-ium-1-yl]amino]piperazin-2-one dihydrochloride CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-methyl-1-[(1-pyridin-4-yl-1-piperidin-1-iumyl)amino]-2-piperazinone dihydrochloride IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-6-methyl-1-[(1-pyridin-4-ylpiperidin-1-ium-1-yl)amino]piperazin-2-one dihydrochloride Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-6-methyl-1-[[1-(4-pyridyl)piperidin-1-ium-1-yl]amino]piperazin-2-one dihydrochloride Formula: C25H31Cl3N5O3S+ MolecularWeight: 587.96934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(=O)N1N[N+]2(CCCCC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.Cl.Cl

Isomeric SMILES

CC1CN(CC(=O)N1N[N+]2(CCCCC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.Cl.Cl

InChI

InChI=1S/C25H29ClN5O3S.2ClH/c1-19-17-29(35(33,34)24-8-6-20-15-22(26)7-5-21(20)16-24)18-25(32)30(19)28-31(13-3-2-4-14-31)23-9-11-27-12-10-23;;/h5-12,15-16,19,28H,2-4,13-14,17-18H2,1H3;2*1H/q+1;;