1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)-4-imidazolyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one Formula: C20H33N4O3S+ MolecularWeight: 409.56602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=CN=C2S(=O)(=O)CC3CC3)C[NH+]4CCC(=O)NCC4

Isomeric SMILES

C1CCC(CC1)CN2C(=CN=C2S(=O)(=O)CC3CC3)C[NH+]4CCC(=O)NCC4

InChI

InChI=1S/C20H32N4O3S/c25-19-8-10-23(11-9-21-19)14-18-12-22-20(28(26,27)15-17-6-7-17)24(18)13-16-4-2-1-3-5-16/h12,16-17H,1-11,13-15H2,(H,21,25)/p+1