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

Systemtic Name: 1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(E)-2-methyl-3-phenyl-allyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(E)-2-methyl-3-phenylprop-2-enyl]-N-phenethyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(E)-2-methyl-3-phenyl-allyl]-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C31H37N2O+ MolecularWeight: 453.63828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC(CC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C31H36N2O/c1-26(23-28-13-7-3-8-14-28)24-32-20-18-30(19-21-32)31(34)33(25-29-15-9-4-10-16-29)22-17-27-11-5-2-6-12-27/h2-16,23,30H,17-22,24-25H2,1H3/p+1/b26-23+