N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H34N3O3+ MolecularWeight: 448.57716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c31-26(11-10-22-6-2-1-3-7-22)30-14-12-23(13-15-30)27(32)28-20-24-8-4-5-9-25(24)21-29-16-18-33-19-17-29/h1-11,23H,12-21H2,(H,28,32)/p+1/b11-10+