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

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium Openeye Name: indan-2-yl-[1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium Traditional Name: indan-2-yl-[1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C27H31N4O+ MolecularWeight: 427.56124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C2CC3=CC=CC=C3C2)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]C2CC3=CC=CC=C3C2)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C27H30N4O/c32-27(29-19-20-4-3-13-28-18-20)21-7-9-26(10-8-21)31-14-11-24(12-15-31)30-25-16-22-5-1-2-6-23(22)17-25/h1-10,13,18,24-25,30H,11-12,14-17,19H2,(H,29,32)/p+1