3-[4-[3-(dimethylazaniumyl)propylamino]-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[4-[3-(dimethylazaniumyl)propylamino]-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-[3-(dimethylammonio)propylamino]-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-[3-(dimethylammonio)propylamino]-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-1-yl]propyl-dimethylammonium IUPAC Name: 3-[4-[3-(dimethylazaniumyl)propylamino]-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-1-yl]propyl-dimethylazanium Traditional Name: 3-[4-[3-(dimethylammonio)propylamino]-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-1-yl]propyl-dimethyl-ammonium Formula: C24H40N5+3 MolecularWeight: 398.6079

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC(=[N+](C2=C1CCCC2)CCC[NH+](C)C)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCNC1=NC(=[N+](C2=C1CCCC2)CCC[NH+](C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H37N5/c1-27(2)17-10-16-25-23-21-14-8-9-15-22(21)29(19-11-18-28(3)4)24(26-23)20-12-6-5-7-13-20/h5-7,12-13H,8-11,14-19H2,1-4H3/p+3