2,6-bis[(3-methylpiperidin-1-yl)methyl]-4-nitro-phenol

Systemtic Name: 2,6-bis[(3-methylpiperidin-1-yl)methyl]-4-nitro-phenol Openeye Name: 2,6-bis[(3-methyl-1-piperidyl)methyl]-4-nitro-phenol CAS Name: 2,6-bis[(3-methyl-1-piperidinyl)methyl]-4-nitrophenol IUPAC Name: 2,6-bis[(3-methylpiperidin-1-yl)methyl]-4-nitrophenol Traditional Name: 2,6-bis[(3-methylpiperidino)methyl]-4-nitro-phenol Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC(=CC(=C2O)CN3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)CC2=CC(=CC(=C2O)CN3CCCC(C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H31N3O3/c1-15-5-3-7-21(11-15)13-17-9-19(23(25)26)10-18(20(17)24)14-22-8-4-6-16(2)12-22/h9-10,15-16,24H,3-8,11-14H2,1-2H3