4-[[4-(aminomethyl)phenyl]methoxy]-N'-azanyl-3-methoxy-benzenecarboximidamide; methanesulfonic acid

Systemtic Name: 4-[[4-(aminomethyl)phenyl]methoxy]-N'-azanyl-3-methoxy-benzenecarboximidamide; methanesulfonic acid Openeye Name: N'-amino-4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxy-benzamidine; methanesulfonic acid CAS Name: N'-amino-4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzenecarboximidamide; methanesulfonic acid IUPAC Name: N'-amino-4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzenecarboximidamide; methanesulfonic acid Traditional Name: N'-amino-4-[4-(aminomethyl)benzyl]oxy-3-methoxy-benzamidine; mesylic acid Formula: C18H28N4O8S2 MolecularWeight: 492.56692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=NN)N)OCC2=CC=C(C=C2)CN.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C(=N\N)/N)OCC2=CC=C(C=C2)CN.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C16H20N4O2.2CH4O3S/c1-21-15-8-13(16(18)20-19)6-7-14(15)22-10-12-4-2-11(9-17)3-5-12;2*1-5(2,3)4/h2-8H,9-10,17,19H2,1H3,(H2,18,20);2*1H3,(H,2,3,4)