[(3S)-oxolan-3-yl]-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium

Systemtic Name: [(3S)-oxolan-3-yl]-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium Openeye Name: [1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]-[(3S)-tetrahydrofuran-3-yl]ammonium CAS Name: [(3S)-3-oxolanyl]-[1-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(3S)-oxolan-3-yl]-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]-[(3S)-tetrahydrofuran-3-yl]ammonium Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C2CCOC2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1COC[C@H]1[NH2+]C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H28N4O2/c27-22(24-15-17-2-1-10-23-14-17)18-3-5-21(6-4-18)26-11-7-19(8-12-26)25-20-9-13-28-16-20/h1-6,10,14,19-20,25H,7-9,11-13,15-16H2,(H,24,27)/p+1/t20-/m0/s1