(3S)-1-[1-(2-methylpropyl)piperidin-1-ium-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(2-methylpropyl)piperidin-1-ium-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-(1-isobutylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2-methylpropyl)-4-piperidin-1-iumyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(2-methylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-(1-isobutylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C22H37N3O+2 MolecularWeight: 359.54868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O/c1-18(2)16-24-13-10-21(11-14-24)25-12-6-9-20(17-25)22(26)23-15-19-7-4-3-5-8-19/h3-5,7-8,18,20-21H,6,9-17H2,1-2H3,(H,23,26)/p+2/t20-/m0/s1