(E)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-3-(3-phenylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-3-(3-phenylphenyl)prop-2-enamide Openeye Name: (E)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-3-(3-phenylphenyl)prop-2-enamide CAS Name: (E)-N-[4-[(1-methyl-1-piperidin-1-iumyl)methyl]phenyl]-3-(3-phenylphenyl)-2-propenamide IUPAC Name: (E)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-3-(3-phenylphenyl)prop-2-enamide Traditional Name: (E)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-3-(3-phenylphenyl)acrylamide Formula: C28H31N2O+ MolecularWeight: 411.55854

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCCCC1)CC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O/c1-30(19-6-3-7-20-30)22-24-13-16-27(17-14-24)29-28(31)18-15-23-9-8-12-26(21-23)25-10-4-2-5-11-25/h2,4-5,8-18,21H,3,6-7,19-20,22H2,1H3/p+1/b18-15+