cyclopropyl-[4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: cyclopropyl-[4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: cyclopropyl-[4-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: cyclopropyl-[4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: cyclopropyl-[4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C22H32N5O4S+ MolecularWeight: 462.58558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C22H31N5O4S/c1-2-27-20-6-5-18(32(29,30)26-11-13-31-14-12-26)15-19(20)23-21(27)16-24-7-9-25(10-8-24)22(28)17-3-4-17/h5-6,15,17H,2-4,7-14,16H2,1H3/p+1