2-[4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]piperidin-1-yl]-6-ethoxy-4-methyl-quinazoline

Systemtic Name: 2-[4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]piperidin-1-yl]-6-ethoxy-4-methyl-quinazoline Openeye Name: 2-[4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]-1-piperidyl]-6-ethoxy-4-methyl-quinazoline CAS Name: 2-[4-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazin-1-iumyl]-1-piperidinyl]-6-ethoxy-4-methylquinazoline IUPAC Name: 2-[4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]piperidin-1-yl]-6-ethoxy-4-methylquinazoline Traditional Name: 2-[4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]piperidino]-6-ethoxy-4-methyl-quinazoline Formula: C26H36N7O+ MolecularWeight: 462.61034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)[NH+]4CCN(CC4)C5=NC(=CN=C5C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)[NH+]4CCN(CC4)C5=NC(=CN=C5C)C

InChI

InChI=1S/C26H35N7O/c1-5-34-22-6-7-24-23(16-22)19(3)29-26(30-24)33-10-8-21(9-11-33)31-12-14-32(15-13-31)25-20(4)27-17-18(2)28-25/h6-7,16-17,21H,5,8-15H2,1-4H3/p+1