1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]azocan-1-ium

Systemtic Name: 1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]azocan-1-ium Openeye Name: 1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]azocan-1-ium CAS Name: 1-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]azocan-1-ium IUPAC Name: 1-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]azocan-1-ium Traditional Name: 1-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]azocan-1-ium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C21H31N3O2S/c1-2-27(25,26)21-22-17-20(18-23-14-9-4-3-5-10-15-23)24(21)16-13-19-11-7-6-8-12-19/h6-8,11-12,17H,2-5,9-10,13-16,18H2,1H3/p+1