N-[(2S)-1-methoxypropan-2-yl]-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-1-methoxypropan-2-yl]-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-1-(m-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-1-methoxypropan-2-yl]-1-[(3-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-1-methoxypropan-2-yl]-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-1-(3-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NC(C)COC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)N[C@@H](C)COC

InChI

InChI=1S/C18H28N2O2/c1-14-5-4-6-16(11-14)12-20-9-7-17(8-10-20)18(21)19-15(2)13-22-3/h4-6,11,15,17H,7-10,12-13H2,1-3H3,(H,19,21)/p+1/t15-/m0/s1