1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]ethanone Formula: C21H30N5O4S+ MolecularWeight: 448.559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H29N5O4S/c1-16-13-19(17(2)23-16)20(27)15-24-5-7-25(8-6-24)21-4-3-18(14-22-21)31(28,29)26-9-11-30-12-10-26/h3-4,13-14,23H,5-12,15H2,1-2H3/p+1