[1-(2-chloranylpyridin-3-yl)sulfonylpiperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(2-chloranylpyridin-3-yl)sulfonylpiperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [1-[(2-chloro-3-pyridyl)sulfonyl]-4-piperidyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [1-[(2-chloro-3-pyridinyl)sulfonyl]-4-piperidinyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [1-(2-chloropyridin-3-yl)sulfonylpiperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [1-[(2-chloro-3-pyridyl)sulfonyl]-4-piperidyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H27ClN5O3S+ MolecularWeight: 464.98878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)S(=O)(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)S(=O)(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C21H26ClN5O3S/c22-20-19(2-1-7-24-20)31(29,30)27-10-5-18(6-11-27)21(28)26-14-12-25(13-15-26)16-17-3-8-23-9-4-17/h1-4,7-9,18H,5-6,10-16H2/p+1