1-(3-methylbutyl)-2-propan-2-ylsulfonyl-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole

Systemtic Name: 1-(3-methylbutyl)-2-propan-2-ylsulfonyl-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Openeye Name: 1-isopentyl-2-isopropylsulfonyl-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole CAS Name: 1-(3-methylbutyl)-2-propan-2-ylsulfonyl-5-(1-pyrrolidin-1-iumylmethyl)imidazole IUPAC Name: 1-(3-methylbutyl)-2-propan-2-ylsulfonyl-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Traditional Name: 1-isoamyl-2-isopropylsulfonyl-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Formula: C16H30N3O2S+ MolecularWeight: 328.4933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCCC2

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCCC2

InChI

InChI=1S/C16H29N3O2S/c1-13(2)7-10-19-15(12-18-8-5-6-9-18)11-17-16(19)22(20,21)14(3)4/h11,13-14H,5-10,12H2,1-4H3/p+1