[4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-2-quinazolinyl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[4-(1,3-benzodioxol-5-ylamino)-8-methylquinazolin-2-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C26H26N5O3S+ MolecularWeight: 488.58134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2NC3=CC4=C(C=C3)OCO4)C[NH+]5CCN(CC5)C(=O)C6=CC=CS6

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2NC3=CC4=C(C=C3)OCO4)C[NH+]5CCN(CC5)C(=O)C6=CC=CS6

InChI

InChI=1S/C26H25N5O3S/c1-17-4-2-5-19-24(17)28-23(29-25(19)27-18-7-8-20-21(14-18)34-16-33-20)15-30-9-11-31(12-10-30)26(32)22-6-3-13-35-22/h2-8,13-14H,9-12,15-16H2,1H3,(H,27,28,29)/p+1