(3S)-N-methyl-N-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-methyl-N-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-isopentyl-1-(1-isopropylpiperidin-1-ium-4-yl)-N-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-methyl-N-(3-methylbutyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-methyl-N-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-isoamyl-1-(1-isopropylpiperidin-1-ium-4-yl)-N-methyl-piperidin-1-ium-3-carboxamide Formula: C20H41N3O+2 MolecularWeight: 339.55904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C)C(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)C(C)C

Isomeric SMILES

CC(C)CCN(C)C(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C20H39N3O/c1-16(2)8-12-21(5)20(24)18-7-6-11-23(15-18)19-9-13-22(14-10-19)17(3)4/h16-19H,6-15H2,1-5H3/p+2/t18-/m0/s1