4-azanyl-1-phenyl-dodecane-6-thiol; pyridazin-1-ium

Systemtic Name: 4-azanyl-1-phenyl-dodecane-6-thiol; pyridazin-1-ium Openeye Name: 4-amino-1-phenyl-dodecane-6-thiol; pyridazin-1-ium CAS Name: 4-amino-1-phenyl-6-dodecanethiol; pyridazin-1-ium IUPAC Name: 4-amino-1-phenyldodecane-6-thiol; pyridazin-1-ium Traditional Name: 4-amino-1-phenyl-dodecane-6-thiol; pyridazin-1-ium Formula: C22H36N3S+ MolecularWeight: 374.60634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(CCCC1=CC=CC=C1)N)S.C1=CC=N[NH+]=C1

Isomeric SMILES

CCCCCCC(CC(CCCC1=CC=CC=C1)N)S.C1=CC=N[NH+]=C1

InChI

InChI=1S/C18H31NS.C4H4N2/c1-2-3-4-8-14-18(20)15-17(19)13-9-12-16-10-6-5-7-11-16;1-2-4-6-5-3-1/h5-7,10-11,17-18,20H,2-4,8-9,12-15,19H2,1H3;1-4H/p+1