6-nitro-3-[4-oxidanylidene-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-nitro-3-[4-oxidanylidene-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[4-oxo-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[4-oxo-4-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-3-[4-oxo-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C25H26N5O5+ MolecularWeight: 476.50444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C25H25N5O5/c31-23(7-3-11-29-21-9-8-20(30(33)34)16-22(21)35-25(29)32)28-14-12-27(13-15-28)17-19-5-1-4-18-6-2-10-26-24(18)19/h1-2,4-6,8-10,16H,3,7,11-15,17H2/p+1