(3S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide 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+]2CCCC(C2)C(=O)N

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C20H36N4O3S/c1-4-5-11-24-18(15-23-10-6-9-17(14-23)19(21)25)13-22-20(24)28(26,27)12-7-8-16(2)3/h13,16-17H,4-12,14-15H2,1-3H3,(H2,21,25)/p+1/t17-/m0/s1