5-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)-1-methyl-3-(1-piperidin-1-ylethyl)quinazolin-1-ium-2,4-dione

Systemtic Name: 5-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)-1-methyl-3-(1-piperidin-1-ylethyl)quinazolin-1-ium-2,4-dione Openeye Name: 5-(1H-benzimidazol-2-ylmethyl)-1-(2-furylmethyl)-1-methyl-3-[1-(1-piperidyl)ethyl]quinazolin-1-ium-2,4-dione CAS Name: 5-(1H-benzimidazol-2-ylmethyl)-1-(2-furanylmethyl)-1-methyl-3-[1-(1-piperidinyl)ethyl]quinazolin-1-ium-2,4-dione IUPAC Name: 5-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)-1-methyl-3-(1-piperidin-1-ylethyl)quinazolin-1-ium-2,4-dione Traditional Name: 5-(1H-benzimidazol-2-ylmethyl)-1-(2-furfuryl)-1-methyl-3-(1-piperidinoethyl)quinazolin-1-ium-2,4-quinone Formula: C29H32N5O3+ MolecularWeight: 498.59608

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCCCC1)N2C(=O)C3=C(C=CC=C3[N+](C2=O)(C)CC4=CC=CO4)CC5=NC6=CC=CC=C6N5

Isomeric SMILES

CC(N1CCCCC1)N2C(=O)C3=C(C=CC=C3[N+](C2=O)(C)CC4=CC=CO4)CC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C29H32N5O3/c1-20(32-15-6-3-7-16-32)33-28(35)27-21(18-26-30-23-12-4-5-13-24(23)31-26)10-8-14-25(27)34(2,29(33)36)19-22-11-9-17-37-22/h4-5,8-14,17,20H,3,6-7,15-16,18-19H2,1-2H3,(H,30,31)/q+1