N-cyclopropyl-3-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-cyclopropyl-3-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-cyclopropyl-3-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-cyclopropyl-3-[(3S)-1-[(4-ethoxyphenyl)methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-cyclopropyl-3-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-cyclopropyl-3-[(3S)-1-(4-ethoxybenzyl)piperidin-1-ium-3-yl]propionamide Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCCC(C2)CCC(=O)NC3CC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC[C@H](C2)CCC(=O)NC3CC3

InChI

InChI=1S/C20H30N2O2/c1-2-24-19-10-5-17(6-11-19)15-22-13-3-4-16(14-22)7-12-20(23)21-18-8-9-18/h5-6,10-11,16,18H,2-4,7-9,12-15H2,1H3,(H,21,23)/p+1/t16-/m0/s1