1-(2-methoxyphenyl)-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(2-methoxyphenyl)-4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Traditional Name: 1-(2-methoxyphenyl)-4-(5-piperidinosulfonylpyridin-1-ium-2-yl)piperazine Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H28N4O3S/c1-28-20-8-4-3-7-19(20)23-13-15-24(16-14-23)21-10-9-18(17-22-21)29(26,27)25-11-5-2-6-12-25/h3-4,7-10,17H,2,5-6,11-16H2,1H3/p+1