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

Systemtic Name: 1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]azocan-1-ium Openeye Name: 1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]azocan-1-ium CAS Name: 1-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]azocan-1-ium IUPAC Name: 1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]azocan-1-ium Traditional Name: 1-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]azocan-1-ium Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C22H33N3O2S/c1-2-28(26,27)22-23-18-21(19-24-15-9-4-3-5-10-16-24)25(22)17-11-14-20-12-7-6-8-13-20/h6-8,12-13,18H,2-5,9-11,14-17,19H2,1H3/p+1