1-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone CAS Name: 1-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone IUPAC Name: 1-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Formula: C22H33N4O3S+ MolecularWeight: 433.58742

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCN(CC3)C(=O)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCN(CC3)C(=O)C

InChI

InChI=1S/C22H32N4O3S/c1-3-30(28,29)22-23-17-21(18-24-12-8-13-25(16-15-24)19(2)27)26(22)14-7-11-20-9-5-4-6-10-20/h4-6,9-10,17H,3,7-8,11-16,18H2,1-2H3/p+1