(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C25H31N6O3S+ MolecularWeight: 495.61704

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+](C)CC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+](C)CC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H30N6O3S/c1-3-30-24-10-9-22(35(32,33)29-11-13-34-14-12-29)15-23(24)27-25(30)19-28(2)17-20-16-26-31(18-20)21-7-5-4-6-8-21/h4-10,15-16,18H,3,11-14,17,19H2,1-2H3/p+1