bicyclo[2.2.1]hepta-1,3,5-trien-7-one; 1-butylsulfonyl-1-methyl-2-piperidin-1-yl-guanidine; hydrochloride

Systemtic Name: bicyclo[2.2.1]hepta-1,3,5-trien-7-one; 1-butylsulfonyl-1-methyl-2-piperidin-1-yl-guanidine; hydrochloride Openeye Name: bicyclo[2.2.1]hepta-1,3,5-trien-7-one; 1-butylsulfonyl-1-methyl-2-(1-piperidyl)guanidine; hydrochloride CAS Name: 7-bicyclo[2.2.1]hepta-1,3,5-trienone; 1-butylsulfonyl-1-methyl-2-(1-piperidinyl)guanidine; hydrochloride IUPAC Name: bicyclo[2.2.1]hepta-1,3,5-trien-7-one; 1-butylsulfonyl-1-methyl-2-piperidin-1-ylguanidine; hydrochloride Traditional Name: bicyclo[2.2.1]hepta-1,3,5-trien-7-one; 1-butylsulfonyl-1-methyl-2-piperidino-guanidine; hydrochloride Formula: C18H29ClN4O3S MolecularWeight: 416.96586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(C)C(=NN1CCCCC1)N.C1=CC2=CC=C1C2=O.Cl

Isomeric SMILES

CCCCS(=O)(=O)N(C)/C(=N/N1CCCCC1)/N.C1=CC2=CC=C1C2=O.Cl

InChI

InChI=1S/C11H24N4O2S.C7H4O.ClH/c1-3-4-10-18(16,17)14(2)11(12)13-15-8-6-5-7-9-15;8-7-5-1-2-6(7)4-3-5;/h3-10H2,1-2H3,(H2,12,13);1-4H;1H