6-chloranyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-1,3-benzoxazol-2-one Formula: C17H18ClN4O2+ MolecularWeight: 345.80342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H17ClN4O2/c18-13-4-5-14-15(11-13)24-17(23)22(14)12-20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2/p+1