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

Systemtic Name: (3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-(o-tolylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-(2-methylbenzyl)piperidin-1-ium-3-carboxamide Formula: C22H37N3O+2 MolecularWeight: 359.54868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C22H35N3O/c1-17(2)24-13-10-21(11-14-24)25-12-6-9-20(16-25)22(26)23-15-19-8-5-4-7-18(19)3/h4-5,7-8,17,20-21H,6,9-16H2,1-3H3,(H,23,26)/p+2/t20-/m0/s1