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

Systemtic Name: N-ethyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-carboxamide CAS Name: N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-carboxamide Formula: C25H33N2O+ MolecularWeight: 377.54232

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC(=CC3=CC=CC=C3)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)C/C(=C/C3=CC=CC=C3)/C

InChI

InChI=1S/C25H32N2O/c1-3-27(20-23-12-8-5-9-13-23)25(28)24-14-16-26(17-15-24)19-21(2)18-22-10-6-4-7-11-22/h4-13,18,24H,3,14-17,19-20H2,1-2H3/p+1/b21-18+