2,3-dihydro-1H-inden-2-yl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: indan-2-yl-[1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]-indan-2-yl-ammonium Formula: C29H34N3O+ MolecularWeight: 440.59976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C2CC3=CC=CC=C3C2)C4=CC=C(C=C4)NC(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]C2CC3=CC=CC=C3C2)C4=CC=C(C=C4)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C29H33N3O/c33-29(15-10-22-6-2-1-3-7-22)31-25-11-13-28(14-12-25)32-18-16-26(17-19-32)30-27-20-23-8-4-5-9-24(23)21-27/h1-9,11-14,26-27,30H,10,15-21H2,(H,31,33)/p+1