methyl 4-[[4-[[bis(azanyl)methylideneamino]methyl]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[[bis(azanyl)methylideneamino]methyl]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(guanidinomethyl)-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[(diaminomethylideneamino)methyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(diaminomethylideneamino)methyl]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(guanidinomethyl)piperidino]methyl]benzoic acid methyl ester Formula: C16H24N4O2 MolecularWeight: 304.38736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)CN=C(N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)CN=C(N)N

InChI

InChI=1S/C16H24N4O2/c1-22-15(21)14-4-2-13(3-5-14)11-20-8-6-12(7-9-20)10-19-16(17)18/h2-5,12H,6-11H2,1H3,(H4,17,18,19)