1-[[1-(2-azanylpyridin-4-yl)piperidin-1-ium-1-yl]methylamino]-4-(6-chloranylnaphthalen-2-yl)sulfonyl-piperazin-2-one

Systemtic Name: 1-[[1-(2-azanylpyridin-4-yl)piperidin-1-ium-1-yl]methylamino]-4-(6-chloranylnaphthalen-2-yl)sulfonyl-piperazin-2-one Openeye Name: 1-[[1-(2-amino-4-pyridyl)piperidin-1-ium-1-yl]methylamino]-4-[(6-chloro-2-naphthyl)sulfonyl]piperazin-2-one CAS Name: 1-[[1-(2-amino-4-pyridinyl)-1-piperidin-1-iumyl]methylamino]-4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-piperazinone IUPAC Name: 1-[[1-(2-aminopyridin-4-yl)piperidin-1-ium-1-yl]methylamino]-4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-2-one Traditional Name: 1-[[1-(2-amino-4-pyridyl)piperidin-1-ium-1-yl]methylamino]-4-[(6-chloro-2-naphthyl)sulfonyl]piperazin-2-one Formula: C25H30ClN6O3S+ MolecularWeight: 530.0621

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CNN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC(=NC=C5)N

Isomeric SMILES

C1CC[N+](CC1)(CNN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC(=NC=C5)N

InChI

InChI=1S/C25H30ClN6O3S/c26-21-6-4-20-15-23(7-5-19(20)14-21)36(34,35)30-10-11-31(25(33)17-30)29-18-32(12-2-1-3-13-32)22-8-9-28-24(27)16-22/h4-9,14-16,29H,1-3,10-13,17-18H2,(H2,27,28)/q+1