(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (2-oxidanyl-2-prop-2-enyl-pent-4-enyl)-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (2-allyl-2-hydroxy-pent-4-enyl)-[1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: (2-hydroxy-2-prop-2-enylpent-4-enyl)-[1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (2-hydroxy-2-prop-2-enylpent-4-enyl)-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: (2-allyl-2-hydroxy-pent-4-enyl)-[1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]ammonium Formula: C28H38N3O2+ MolecularWeight: 448.62022

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(C[NH2+]C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3)O

Isomeric SMILES

C=CCC(CC=C)(C[NH2+]C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3)O

InChI

InChI=1S/C28H37N3O2/c1-3-18-28(33,19-4-2)22-29-24-16-20-31(21-17-24)26-13-11-25(12-14-26)30-27(32)15-10-23-8-6-5-7-9-23/h3-9,11-14,24,29,33H,1-2,10,15-22H2,(H,30,32)/p+1