[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]azanium

Systemtic Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]azanium Openeye Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]ammonium CAS Name: [2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl-methyl-[2-(1-methyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]azanium Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]ammonium Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)CCC3=CN(N=C3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)CCC3=CN(N=C3)C

InChI

InChI=1S/C22H31N5O2S/c1-4-30(28,29)22-23-16-21(18-25(2)14-12-20-15-24-26(3)17-20)27(22)13-8-11-19-9-6-5-7-10-19/h5-7,9-10,15-17H,4,8,11-14,18H2,1-3H3/p+1