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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C([NH+]=C2NCCCOC)C[NH+]3CCN(C(=O)C3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C([NH+]=C2NCCCOC)C[NH+]3CCN(C(=O)C3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H33N5O3/c1-19-8-9-23-22(14-19)26(27-10-5-13-33-2)29-24(28-23)17-30-11-12-31(25(32)18-30)16-20-6-4-7-21(15-20)34-3/h4,6-9,14-15H,5,10-13,16-18H2,1-3H3,(H,27,28,29)/p+2