N-(1,3-benzodioxol-5-yl)-8-methyl-2-[(4-piperidin-1-ium-1-ylpiperidin-1-yl)methyl]quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-8-methyl-2-[(4-piperidin-1-ium-1-ylpiperidin-1-yl)methyl]quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-8-methyl-2-[(4-piperidin-1-ium-1-yl-1-piperidyl)methyl]quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-8-methyl-2-[[4-(1-piperidin-1-iumyl)-1-piperidinyl]methyl]-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-8-methyl-2-[(4-piperidin-1-ium-1-ylpiperidin-1-yl)methyl]quinazolin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[8-methyl-2-[(4-piperidin-1-ium-1-ylpiperidino)methyl]quinazolin-4-yl]amine Formula: C27H34N5O2+ MolecularWeight: 460.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2NC3=CC4=C(C=C3)OCO4)CN5CCC(CC5)[NH+]6CCCCC6

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2NC3=CC4=C(C=C3)OCO4)CN5CCC(CC5)[NH+]6CCCCC6

InChI

InChI=1S/C27H33N5O2/c1-19-6-5-7-22-26(19)29-25(17-31-14-10-21(11-15-31)32-12-3-2-4-13-32)30-27(22)28-20-8-9-23-24(16-20)34-18-33-23/h5-9,16,21H,2-4,10-15,17-18H2,1H3,(H,28,29,30)/p+1