1-[4-[(6,7-dimethoxy-4-pyrrolidin-1-yl-quinazolin-3-ium-2-yl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[(6,7-dimethoxy-4-pyrrolidin-1-yl-quinazolin-3-ium-2-yl)methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[(6,7-dimethoxy-4-pyrrolidin-1-yl-quinazolin-3-ium-2-yl)methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[6,7-dimethoxy-4-(1-pyrrolidinyl)-2-quinazolin-3-iumyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[(6,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-3-ium-2-yl)methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[(6,7-dimethoxy-4-pyrrolidino-quinazolin-3-ium-2-yl)methyl]piperazino]ethanone Formula: C21H30N5O3+ MolecularWeight: 400.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=NC3=CC(=C(C=C3C(=[NH+]2)N4CCCC4)OC)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=NC3=CC(=C(C=C3C(=[NH+]2)N4CCCC4)OC)OC

InChI

InChI=1S/C21H29N5O3/c1-15(27)25-10-8-24(9-11-25)14-20-22-17-13-19(29-3)18(28-2)12-16(17)21(23-20)26-6-4-5-7-26/h12-13H,4-11,14H2,1-3H3/p+1