bis(azanyl)methylidene-[[3-chloranyl-4-(6-methylheptoxy)phenyl]methyl]azanium

Systemtic Name: bis(azanyl)methylidene-[[3-chloranyl-4-(6-methylheptoxy)phenyl]methyl]azanium Openeye Name: [3-chloro-4-(6-methylheptoxy)phenyl]methyl-(diaminomethylene)ammonium CAS Name: [3-chloro-4-(6-methylheptoxy)phenyl]methyl-(diaminomethylidene)ammonium IUPAC Name: [3-chloro-4-(6-methylheptoxy)phenyl]methyl-(diaminomethylidene)azanium Traditional Name: [3-chloro-4-(6-methylheptoxy)benzyl]-(diaminomethylene)ammonium Formula: C16H27ClN3O+ MolecularWeight: 312.85808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC1=C(C=C(C=C1)C[NH+]=C(N)N)Cl

Isomeric SMILES

CC(C)CCCCCOC1=C(C=C(C=C1)C[NH+]=C(N)N)Cl

InChI

InChI=1S/C16H26ClN3O/c1-12(2)6-4-3-5-9-21-15-8-7-13(10-14(15)17)11-20-16(18)19/h7-8,10,12H,3-6,9,11H2,1-2H3,(H4,18,19,20)/p+1