3-(3-azaniumylphenoxy)propyl-[(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]azanium dichloride

Systemtic Name: 3-(3-azaniumylphenoxy)propyl-[(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]azanium dichloride Openeye Name: 3-(3-azaniumylphenoxy)propyl-[(7-methoxychroman-2-yl)methyl]ammonium dichloride CAS Name: 3-(3-ammoniophenoxy)propyl-[(7-methoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]ammonium dichloride IUPAC Name: 3-(3-azaniumylphenoxy)propyl-[(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]azanium dichloride Traditional Name: 3-(3-ammoniophenoxy)propyl-[(7-methoxychroman-2-yl)methyl]ammonium dichloride Formula: C20H28Cl2N2O3 MolecularWeight: 415.35392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC(O2)C[NH2+]CCCOC3=CC=CC(=C3)[NH3+])C=C1.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC2=C(CCC(O2)C[NH2+]CCCOC3=CC=CC(=C3)[NH3+])C=C1.[Cl-].[Cl-]

InChI

InChI=1S/C20H26N2O3.2ClH/c1-23-17-8-6-15-7-9-19(25-20(15)13-17)14-22-10-3-11-24-18-5-2-4-16(21)12-18;;/h2,4-6,8,12-13,19,22H,3,7,9-11,14,21H2,1H3;2*1H