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

Systemtic Name: N-[(2R)-1-methoxybutan-2-yl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1R)-1-(methoxymethyl)propyl]-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2R)-1-methoxybutan-2-yl]-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2R)-1-methoxybutan-2-yl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1R)-1-(methoxymethyl)propyl]-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C24H41N3O2+2 MolecularWeight: 403.60124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC)NC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC[C@H](COC)NC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C24H39N3O2/c1-4-22(18-29-3)25-24(28)20-9-15-27(16-10-20)23-11-13-26(14-12-23)17-21-8-6-5-7-19(21)2/h5-8,20,22-23H,4,9-18H2,1-3H3,(H,25,28)/p+2/t22-/m1/s1