3-[(4-nitrophenoxy)methyl]-1-pentyl-4-thiophen-3-yl-piperidine

Systemtic Name: 3-[(4-nitrophenoxy)methyl]-1-pentyl-4-thiophen-3-yl-piperidine Openeye Name: 3-[(4-nitrophenoxy)methyl]-1-pentyl-4-(3-thienyl)piperidine CAS Name: 3-[(4-nitrophenoxy)methyl]-1-pentyl-4-(3-thiophenyl)piperidine IUPAC Name: 3-[(4-nitrophenoxy)methyl]-1-pentyl-4-thiophen-3-ylpiperidine Traditional Name: 1-amyl-3-[(4-nitrophenoxy)methyl]-4-(3-thienyl)piperidine Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(C(C1)COC2=CC=C(C=C2)[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

CCCCCN1CCC(C(C1)COC2=CC=C(C=C2)[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C21H28N2O3S/c1-2-3-4-11-22-12-9-21(17-10-13-27-16-17)18(14-22)15-26-20-7-5-19(6-8-20)23(24)25/h5-8,10,13,16,18,21H,2-4,9,11-12,14-15H2,1H3