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

Systemtic Name: [2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]-propan-2-yl-azanium Openeye Name: (3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl-isopropyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl-[(1-methyl-4-pyrazolyl)methyl]-propan-2-ylammonium IUPAC Name: (3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl-[(1-methylpyrazol-4-yl)methyl]-propan-2-ylazanium Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-isopropyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C21H30N5O2S+ MolecularWeight: 416.5602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](CC3=CN(N=C3)C)C(C)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](CC3=CN(N=C3)C)C(C)C

InChI

InChI=1S/C21H29N5O2S/c1-5-29(27,28)21-22-12-20(26(21)15-18-9-7-6-8-10-18)16-25(17(2)3)14-19-11-23-24(4)13-19/h6-13,17H,5,14-16H2,1-4H3/p+1