N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidine-5-sulfonamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidine-5-sulfonamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-dimethyl-2,4-dioxo-pyrimidine-5-sulfonamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide Traditional Name: 2,4-diketo-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-dimethyl-pyrimidine-5-sulfonamide Formula: C20H29N4O5S+ MolecularWeight: 437.53306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

InChI=1S/C20H28N4O5S/c1-22-14-18(19(25)23(2)20(22)26)30(27,28)21-13-17(24-11-5-4-6-12-24)15-7-9-16(29-3)10-8-15/h7-10,14,17,21H,4-6,11-13H2,1-3H3/p+1/t17-/m1/s1