1-(3-methoxyphenyl)-N-[4-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)piperazin-1-yl]methanimine

Systemtic Name: 1-(3-methoxyphenyl)-N-[4-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)piperazin-1-yl]methanimine Openeye Name: 1-(3-methoxyphenyl)-N-[4-[3-(1-piperidylsulfonyl)pyridin-1-ium-4-yl]piperazin-1-yl]methanimine CAS Name: 1-(3-methoxyphenyl)-N-[4-[3-(1-piperidinylsulfonyl)-4-pyridin-1-iumyl]-1-piperazinyl]methanimine IUPAC Name: 1-(3-methoxyphenyl)-N-[4-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)piperazin-1-yl]methanimine Traditional Name: (Z)-m-anisylidene-[4-(3-piperidinosulfonylpyridin-1-ium-4-yl)piperazino]amine Formula: C22H30N5O3S+ MolecularWeight: 444.5703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=NN2CCN(CC2)C3=C(C=[NH+]C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3S/c1-30-20-7-5-6-19(16-20)17-24-26-14-12-25(13-15-26)21-8-9-23-18-22(21)31(28,29)27-10-3-2-4-11-27/h5-9,16-18H,2-4,10-15H2,1H3/p+1/b24-17-