1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(oxan-4-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(oxan-4-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]-N-tetrahydropyran-4-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-N-(4-oxanyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(oxan-4-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]-N-tetrahydropyran-4-yl-piperidin-1-ium-4-carboxamide Formula: C24H39N3O2+2 MolecularWeight: 401.58536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC4CCOCC4

InChI

InChI=1S/C24H37N3O2/c1-19-4-2-3-5-21(19)18-26-12-8-23(9-13-26)27-14-6-20(7-15-27)24(28)25-22-10-16-29-17-11-22/h2-5,20,22-23H,6-18H2,1H3,(H,25,28)/p+2