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

Systemtic Name: N-[(2S)-1-methoxypropan-2-yl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-1-methoxypropan-2-yl]-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-1-methoxypropan-2-yl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C23H39N3O2+2 MolecularWeight: 389.57466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O2/c1-18-6-4-5-7-21(18)16-25-12-10-22(11-13-25)26-14-8-20(9-15-26)23(27)24-19(2)17-28-3/h4-7,19-20,22H,8-17H2,1-3H3,(H,24,27)/p+2/t19-/m0/s1