N-[(2S)-butan-2-yl]-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[(2,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2,5-dimethoxybenzyl)-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O3/c1-5-14(2)20-19(22)15-8-10-21(11-9-15)13-16-12-17(23-3)6-7-18(16)24-4/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,20,22)/p+1/t14-/m0/s1