1-(3-methoxyphenyl)-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(3-methoxyphenyl)-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-(3-methoxyphenyl)-4-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(3-methoxyphenyl)-4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(3-methoxyphenyl)-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Traditional Name: 1-(3-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(=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H28N4O3S/c1-28-19-7-5-6-18(16-19)23-12-14-24(15-13-23)21-9-8-20(17-22-21)29(26,27)25-10-3-2-4-11-25/h5-9,16-17H,2-4,10-15H2,1H3/p+1