1-cyclohexyl-4-[[4-(3-methoxypropylamino)-6-methyl-quinazolin-3-ium-2-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 1-cyclohexyl-4-[[4-(3-methoxypropylamino)-6-methyl-quinazolin-3-ium-2-yl]methyl]piperazin-4-ium-2-one Openeye Name: 1-cyclohexyl-4-[[4-(3-methoxypropylamino)-6-methyl-quinazolin-3-ium-2-yl]methyl]piperazin-4-ium-2-one CAS Name: 1-cyclohexyl-4-[[4-(3-methoxypropylamino)-6-methyl-2-quinazolin-3-iumyl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-cyclohexyl-4-[[4-(3-methoxypropylamino)-6-methylquinazolin-3-ium-2-yl]methyl]piperazin-4-ium-2-one Traditional Name: 1-cyclohexyl-4-[[4-(3-methoxypropylamino)-6-methyl-quinazolin-3-ium-2-yl]methyl]piperazin-4-ium-2-one Formula: C24H37N5O2+2 MolecularWeight: 427.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C([NH+]=C2NCCCOC)C[NH+]3CCN(C(=O)C3)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C([NH+]=C2NCCCOC)C[NH+]3CCN(C(=O)C3)C4CCCCC4

InChI

InChI=1S/C24H35N5O2/c1-18-9-10-21-20(15-18)24(25-11-6-14-31-2)27-22(26-21)16-28-12-13-29(23(30)17-28)19-7-4-3-5-8-19/h9-10,15,19H,3-8,11-14,16-17H2,1-2H3,(H,25,26,27)/p+2