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

Systemtic Name: [(3S)-oxolan-3-yl]-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]-[(3S)-tetrahydrofuran-3-yl]ammonium CAS Name: [(3S)-3-oxolanyl]-[1-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(3S)-oxolan-3-yl]-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]-[(3S)-tetrahydrofuran-3-yl]ammonium Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C2CCOC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1COC[C@H]1[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O2/c29-25(11-4-8-20-6-2-1-3-7-20)27-22-9-5-10-24(18-22)28-15-12-21(13-16-28)26-23-14-17-30-19-23/h1-3,5-7,9-10,18,21,23,26H,4,8,11-17,19H2,(H,27,29)/p+1/t23-/m0/s1