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

Systemtic Name: N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-methoxyphenyl)methyl]-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-m-anisyl-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OC

Isomeric SMILES

CC[C@H](C)NC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C18H28N2O2/c1-4-14(2)19-18(21)16-8-10-20(11-9-16)13-15-6-5-7-17(12-15)22-3/h5-7,12,14,16H,4,8-11,13H2,1-3H3,(H,19,21)/p+1/t14-/m0/s1