[3-(1-pyridin-4-ylpiperazin-1-ium-1-yl)-1,2-benzoxazol-6-yl] N,N-dimethylcarbamate

Systemtic Name: [3-(1-pyridin-4-ylpiperazin-1-ium-1-yl)-1,2-benzoxazol-6-yl] N,N-dimethylcarbamate Openeye Name: [3-[1-(4-pyridyl)piperazin-1-ium-1-yl]-1,2-benzoxazol-6-yl] N,N-dimethylcarbamate CAS Name: N,N-dimethylcarbamic acid [3-(1-pyridin-4-yl-1-piperazin-1-iumyl)-1,2-benzoxazol-6-yl] ester IUPAC Name: [3-(1-pyridin-4-ylpiperazin-1-ium-1-yl)-1,2-benzoxazol-6-yl] N,N-dimethylcarbamate Traditional Name: N,N-dimethylcarbamic acid [3-[1-(4-pyridyl)piperazin-1-ium-1-yl]indoxazen-6-yl] ester Formula: C19H22N5O3+ MolecularWeight: 368.40968

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC2=C(C=C1)C(=NO2)[N+]3(CCNCC3)C4=CC=NC=C4

Isomeric SMILES

CN(C)C(=O)OC1=CC2=C(C=C1)C(=NO2)[N+]3(CCNCC3)C4=CC=NC=C4

InChI

InChI=1S/C19H22N5O3/c1-23(2)19(25)26-15-3-4-16-17(13-15)27-22-18(16)24(11-9-21-10-12-24)14-5-7-20-8-6-14/h3-8,13,21H,9-12H2,1-2H3/q+1