3-nitro-6-[6-(phenethylamino)hexyl-propyl-amino]-5,6,7,8-tetrahydronaphthalen-2-ol dihydrochloride

Systemtic Name: 3-nitro-6-[6-(phenethylamino)hexyl-propyl-amino]-5,6,7,8-tetrahydronaphthalen-2-ol dihydrochloride Openeye Name: 7-nitro-2-[6-(phenethylamino)hexyl-propyl-amino]tetralin-6-ol dihydrochloride CAS Name: 3-nitro-6-[6-(phenethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol dihydrochloride IUPAC Name: 3-nitro-6-[6-(phenethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol dihydrochloride Traditional Name: 7-nitro-2-[6-(phenethylamino)hexyl-propyl-amino]tetralin-6-ol dihydrochloride Formula: C27H41Cl2N3O3 MolecularWeight: 526.53874

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCCCNCCC1=CC=CC=C1)C2CCC3=CC(=C(C=C3C2)[N+](=O)[O-])O.Cl.Cl

Isomeric SMILES

CCCN(CCCCCCNCCC1=CC=CC=C1)C2CCC3=CC(=C(C=C3C2)[N+](=O)[O-])O.Cl.Cl

InChI

InChI=1S/C27H39N3O3.2ClH/c1-2-17-29(18-9-4-3-8-15-28-16-14-22-10-6-5-7-11-22)25-13-12-23-21-27(31)26(30(32)33)20-24(23)19-25;;/h5-7,10-11,20-21,25,28,31H,2-4,8-9,12-19H2,1H3;2*1H