N-[(2R)-3-methoxy-2-oxidanyl-propyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2R)-3-methoxy-2-oxidanyl-propyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(2R)-2-hydroxy-3-methoxy-propyl]-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2R)-2-hydroxy-3-methoxypropyl]-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2R)-2-hydroxy-3-methoxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(2R)-2-hydroxy-3-methoxy-propyl]-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C23H39N3O3+2 MolecularWeight: 405.57406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC[C@H](COC)O

InChI

InChI=1S/C23H37N3O3/c1-18-5-3-4-6-20(18)16-25-11-9-21(10-12-25)26-13-7-19(8-14-26)23(28)24-15-22(27)17-29-2/h3-6,19,21-22,27H,7-17H2,1-2H3,(H,24,28)/p+2/t22-/m1/s1