1,3-diethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzimidazol-2-one

Systemtic Name: 1,3-diethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzimidazol-2-one Openeye Name: 1,3-diethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzimidazol-2-one CAS Name: 1,3-diethyl-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-2-benzimidazolone IUPAC Name: 1,3-diethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzimidazol-2-one Traditional Name: 1,3-diethyl-5-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-benzimidazol-2-one Formula: C20H26N5O3S+ MolecularWeight: 416.51714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)N(C1=O)CC

InChI

InChI=1S/C20H25N5O3S/c1-3-24-17-9-8-16(15-18(17)25(4-2)20(24)26)29(27,28)23-13-11-22(12-14-23)19-7-5-6-10-21-19/h5-10,15H,3-4,11-14H2,1-2H3/p+1