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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[[(2S)-2-oxolanyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-ethoxy-3-methoxy-benzyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3CCCO3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC[C@@H]3CCCO3)OC

InChI

InChI=1S/C21H32N2O4/c1-3-26-19-7-6-16(13-20(19)25-2)15-23-10-8-17(9-11-23)21(24)22-14-18-5-4-12-27-18/h6-7,13,17-18H,3-5,8-12,14-15H2,1-2H3,(H,22,24)/p+1/t18-/m0/s1