[3-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H30N2O2/c28-25(27-16-4-5-17-27)22-11-6-12-24(20-22)29-23-13-18-26(19-14-23)15-7-10-21-8-2-1-3-9-21/h1-3,6-12,20,23H,4-5,13-19H2/p+1/b10-7+