4-(aminomethyl)benzenecarboximidamide; 3-phenyloxiran-2-one; hydrochloride

Systemtic Name: 4-(aminomethyl)benzenecarboximidamide; 3-phenyloxiran-2-one; hydrochloride Openeye Name: 4-(aminomethyl)benzamidine; 3-phenyloxiran-2-one; hydrochloride CAS Name: 4-(aminomethyl)benzenecarboximidamide; 3-phenyl-2-oxiranone; hydrochloride IUPAC Name: 4-(aminomethyl)benzenecarboximidamide; 3-phenyloxiran-2-one; hydrochloride Traditional Name: 4-(aminomethyl)benzamidine; 3-phenyloxiran-2-one; hydrochloride Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)O2.C1=CC(=CC=C1CN)C(=N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2C(=O)O2.C1=CC(=CC=C1CN)C(=N)N.Cl

InChI

InChI=1S/C8H11N3.C8H6O2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;9-8-7(10-8)6-4-2-1-3-5-6;/h1-4H,5,9H2,(H3,10,11);1-5,7H;1H