imidazo[1,2-a]pyridin-2-ylmethyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: imidazo[1,2-a]pyridin-2-ylmethyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: imidazo[1,2-a]pyridin-2-ylmethyl-[1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: 2-imidazo[1,2-a]pyridinylmethyl-[1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]-(imidazo[1,2-a]pyridin-2-ylmethyl)ammonium Formula: C28H32N5O+ MolecularWeight: 454.58658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CN3C=CC=CC3=N2)C4=CC=C(C=C4)NC(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CN3C=CC=CC3=N2)C4=CC=C(C=C4)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C28H31N5O/c34-28(14-9-22-6-2-1-3-7-22)31-24-10-12-26(13-11-24)32-18-15-23(16-19-32)29-20-25-21-33-17-5-4-8-27(33)30-25/h1-8,10-13,17,21,23,29H,9,14-16,18-20H2,(H,31,34)/p+1