(2-ethoxy-2-oxidanylidene-ethyl)-methyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl)-methyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (2-ethoxy-2-oxo-ethyl)-methyl-[1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: (2-ethoxy-2-oxoethyl)-methyl-[1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (2-ethoxy-2-oxoethyl)-methyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: (2-ethoxy-2-keto-ethyl)-[1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]-methyl-ammonium Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+](C)C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C[NH+](C)C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-3-31-25(30)19-27(2)22-15-17-28(18-16-22)23-12-10-21(11-13-23)26-24(29)14-9-20-7-5-4-6-8-20/h4-8,10-13,22H,3,9,14-19H2,1-2H3,(H,26,29)/p+1