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

Systemtic Name: N-[(2S)-butan-2-yl]-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-hydroxy-3-methoxy-phenyl)methyl]-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-hydroxy-3-methoxy-benzyl)-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-4-13(2)19-18(22)14-8-10-20(11-9-14)12-15-6-5-7-16(23-3)17(15)21/h5-7,13-14,21H,4,8-12H2,1-3H3,(H,19,22)/p+1/t13-/m0/s1