3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-nitrophenyl)-1-pentyl-piperidine

Systemtic Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-nitrophenyl)-1-pentyl-piperidine Openeye Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-nitrophenyl)-1-pentyl-piperidine CAS Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-nitrophenyl)-1-pentylpiperidine IUPAC Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-nitrophenyl)-1-pentylpiperidine Traditional Name: 1-amyl-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-nitrophenyl)piperidine Formula: C24H30N2O5 MolecularWeight: 426.5054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(C(C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1CCC(C(C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O5/c1-2-3-4-12-25-13-11-22(18-5-7-20(8-6-18)26(27)28)19(15-25)16-29-21-9-10-23-24(14-21)31-17-30-23/h5-10,14,19,22H,2-4,11-13,15-17H2,1H3