[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl-bis(prop-2-enyl)azanium

Systemtic Name: [3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl-bis(prop-2-enyl)azanium Openeye Name: diallyl-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]ammonium CAS Name: [3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl-bis(prop-2-enyl)ammonium IUPAC Name: [2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-bis(prop-2-enyl)azanium Traditional Name: diallyl-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]ammonium Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](CC=C)CC=C

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](CC=C)CC=C

InChI

InChI=1S/C21H29N3O2S/c1-5-12-23(13-6-2)16-20-14-22-21(24(20)15-18(3)4)27(25,26)17-19-10-8-7-9-11-19/h5-11,14,18H,1-2,12-13,15-17H2,3-4H3/p+1