[(2S)-1-[4-(1-benzothiophen-2-yl)piperidin-1-yl]-3-phenylmethoxy-propan-2-yl] nitrate

Systemtic Name: [(2S)-1-[4-(1-benzothiophen-2-yl)piperidin-1-yl]-3-phenylmethoxy-propan-2-yl] nitrate Openeye Name: [(1S)-1-[[4-(benzothiophen-2-yl)-1-piperidyl]methyl]-2-benzyloxy-ethyl] nitrate CAS Name: nitric acid [(2S)-1-[4-(1-benzothiophen-2-yl)-1-piperidinyl]-3-phenylmethoxypropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(1-benzothiophen-2-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl] nitrate Traditional Name: nitric acid [(1S)-1-[[4-(benzothiophen-2-yl)piperidino]methyl]-2-benzoxy-ethyl] ester Formula: C23H26N2O4S MolecularWeight: 426.52854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=CC=CC=C3S2)CC(COCC4=CC=CC=C4)O[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC3=CC=CC=C3S2)C[C@@H](COCC4=CC=CC=C4)O[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O4S/c26-25(27)29-21(17-28-16-18-6-2-1-3-7-18)15-24-12-10-19(11-13-24)23-14-20-8-4-5-9-22(20)30-23/h1-9,14,19,21H,10-13,15-17H2/t21-/m0/s1