(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-[(1-methylpyrazol-4-yl)methyl]-propan-2-yl-azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-[(1-methylpyrazol-4-yl)methyl]-propan-2-yl-azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-isopropyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-[(1-methyl-4-pyrazolyl)methyl]-propan-2-ylammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-[(1-methylpyrazol-4-yl)methyl]-propan-2-ylazanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-isopropyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](CC3=CN(N=C3)C)C(C)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](CC3=CN(N=C3)C)C(C)C

InChI

InChI=1S/C22H31N5O2S/c1-5-30(28,29)22-23-14-21(27(22)12-11-19-9-7-6-8-10-19)17-26(18(2)3)16-20-13-24-25(4)15-20/h6-10,13-15,18H,5,11-12,16-17H2,1-4H3/p+1