N-(3-ethoxypropyl)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(3-ethoxypropyl)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-carboxamide CAS Name: N-(3-ethoxypropyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-ethoxypropyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(3-ethoxypropyl)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-carboxamide Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1CC[NH+](CC1)CC(=CC2=CC=CC=C2)C

Isomeric SMILES

CCOCCCNC(=O)C1CC[NH+](CC1)C/C(=C/C2=CC=CC=C2)/C

InChI

InChI=1S/C21H32N2O2/c1-3-25-15-7-12-22-21(24)20-10-13-23(14-11-20)17-18(2)16-19-8-5-4-6-9-19/h4-6,8-9,16,20H,3,7,10-15,17H2,1-2H3,(H,22,24)/p+1/b18-16+