(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-[4-(7-oxidanylidene-1,4-diazepan-4-ium-1-yl)butyl]-propyl-azanium dichloride

Systemtic Name: (7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-[4-(7-oxidanylidene-1,4-diazepan-4-ium-1-yl)butyl]-propyl-azanium dichloride Openeye Name: (7-methoxytetralin-2-yl)-[4-(7-oxo-1,4-diazepan-4-ium-1-yl)butyl]-propyl-ammonium dichloride CAS Name: (7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-[4-(7-oxo-1,4-diazepan-4-ium-1-yl)butyl]-propylammonium dichloride IUPAC Name: (7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-[4-(7-oxo-1,4-diazepan-4-ium-1-yl)butyl]-propylazanium dichloride Traditional Name: 4-(7-keto-1,4-diazepan-4-ium-1-yl)butyl-(7-methoxytetralin-2-yl)-propyl-ammonium dichloride Formula: C23H39Cl2N3O2 MolecularWeight: 460.48066

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCCCN1CC[NH2+]CCC1=O)C2CCC3=C(C2)C=C(C=C3)OC.[Cl-].[Cl-]

Isomeric SMILES

CCC[NH+](CCCCN1CC[NH2+]CCC1=O)C2CCC3=C(C2)C=C(C=C3)OC.[Cl-].[Cl-]

InChI

InChI=1S/C23H37N3O2.2ClH/c1-3-13-25(14-4-5-15-26-16-12-24-11-10-23(26)27)21-8-6-19-7-9-22(28-2)18-20(19)17-21;;/h7,9,18,21,24H,3-6,8,10-17H2,1-2H3;2*1H