(3-azanyl-4-methoxy-phenyl)methyl-bis(2-hydroxyethyl)azanium; cyclopropane; methanamide; chloride

Systemtic Name: (3-azanyl-4-methoxy-phenyl)methyl-bis(2-hydroxyethyl)azanium; cyclopropane; methanamide; chloride Openeye Name: (3-amino-4-methoxy-phenyl)methyl-bis(2-hydroxyethyl)ammonium; cyclopropane; formamide; chloride CAS Name: (3-amino-4-methoxyphenyl)methyl-bis(2-hydroxyethyl)ammonium; cyclopropane; formamide; chloride IUPAC Name: (3-amino-4-methoxyphenyl)methyl-bis(2-hydroxyethyl)azanium; cyclopropane; formamide; chloride Traditional Name: (3-amino-4-methoxy-benzyl)-bis(2-hydroxyethyl)ammonium; cyclopropane; formamide; chloride Formula: C16H30ClN3O4 MolecularWeight: 363.8801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CCO)CCO)N.C1CC1.C(=O)N.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CCO)CCO)N.C1CC1.C(=O)N.[Cl-]

InChI

InChI=1S/C12H20N2O3.C3H6.CH3NO.ClH/c1-17-12-3-2-10(8-11(12)13)9-14(4-6-15)5-7-16;1-2-3-1;2-1-3;/h2-3,8,15-16H,4-7,9,13H2,1H3;1-3H2;1H,(H2,2,3);1H