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

Systemtic Name: (4-methoxyphenyl)-[4-[[4-(3-methoxypropylamino)-6-methyl-quinazolin-3-ium-2-yl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-[[4-(3-methoxypropylamino)-6-methyl-quinazolin-3-ium-2-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-methoxyphenyl)-[4-[[4-(3-methoxypropylamino)-6-methyl-2-quinazolin-3-iumyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[4-[[4-(3-methoxypropylamino)-6-methylquinazolin-3-ium-2-yl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-methoxyphenyl)-[4-[[4-(3-methoxypropylamino)-6-methyl-quinazolin-3-ium-2-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C26H35N5O3+2 MolecularWeight: 465.5878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C([NH+]=C2NCCCOC)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C([NH+]=C2NCCCOC)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H33N5O3/c1-19-5-10-23-22(17-19)25(27-11-4-16-33-2)29-24(28-23)18-30-12-14-31(15-13-30)26(32)20-6-8-21(34-3)9-7-20/h5-10,17H,4,11-16,18H2,1-3H3,(H,27,28,29)/p+2