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

Systemtic Name: (3S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Openeye Name: (3S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-3-methoxy-piperidin-1-ium CAS Name: (3S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-3-methoxypiperidin-1-ium IUPAC Name: (3S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-3-methoxypiperidin-1-ium Traditional Name: (3S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-3-methoxy-piperidin-1-ium Formula: C20H38N3O3S+ MolecularWeight: 400.59902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCCC(C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H37N3O3S/c1-5-6-12-23-18(15-22-11-7-10-19(16-22)26-4)14-21-20(23)27(24,25)13-8-9-17(2)3/h14,17,19H,5-13,15-16H2,1-4H3/p+1/t19-/m0/s1