N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-N-methyl-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C26H28N5O3S+ MolecularWeight: 490.59722

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=[NH+]C=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=[NH+]C=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C26H27N5O3S/c1-29(25-13-12-24(18-27-25)35(32,33)30-14-16-34-17-15-30)19-22-20-31(23-10-6-3-7-11-23)28-26(22)21-8-4-2-5-9-21/h2-13,18,20H,14-17,19H2,1H3/p+1