1-[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]methanamine

Systemtic Name: 1-[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]methanamine Openeye Name: 1-(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]methanamine CAS Name: 1-[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]-N-methyl-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]methanamine IUPAC Name: 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]methanamine Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-methyl-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]amine Formula: C19H26N5O2S+ MolecularWeight: 388.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN(C)CC3=[NH+]C=C(N3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN(C)CC3=[NH+]C=C(N3)C

InChI

InChI=1S/C19H25N5O2S/c1-4-27(25,26)19-21-11-17(24(19)12-16-8-6-5-7-9-16)13-23(3)14-18-20-10-15(2)22-18/h5-11H,4,12-14H2,1-3H3,(H,20,22)/p+1