4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde

Systemtic Name: 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Openeye Name: 4-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-1,4-diazepan-4-ium-1-carbaldehyde CAS Name: 4-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-1,4-diazepan-4-ium-1-carboxaldehyde IUPAC Name: 4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Traditional Name: 4-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-1,4-diazepan-4-ium-1-carbaldehyde Formula: C20H37N4O3S+ MolecularWeight: 413.59778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCCN(CC2)C=O

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCCN(CC2)C=O

InChI

InChI=1S/C20H36N4O3S/c1-4-5-11-24-19(16-22-9-7-10-23(17-25)13-12-22)15-21-20(24)28(26,27)14-6-8-18(2)3/h15,17-18H,4-14,16H2,1-3H3/p+1