[4-[4-(8-methoxyoctoxy)phenyl]-3-oxidanidyl-2-piperazin-1-yl-3H-benzotriazol-3-ium-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[4-(8-methoxyoctoxy)phenyl]-3-oxidanidyl-2-piperazin-1-yl-3H-benzotriazol-3-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[4-(8-methoxyoctoxy)phenyl]-3-oxido-2-piperazin-1-yl-3H-benzotriazol-3-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-[4-(8-methoxyoctoxy)phenyl]-3-oxido-2-(1-piperazinyl)-3H-benzotriazol-3-ium-1-yl]-(3-pyridinyl)methanone IUPAC Name: [4-[4-(8-methoxyoctoxy)phenyl]-3-oxido-2-piperazin-1-yl-3H-benzotriazol-3-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[4-(8-methoxyoctoxy)phenyl]-3-oxido-2-piperazino-3H-benzotriazol-3-ium-1-yl]-(3-pyridyl)methanone Formula: C31H40N6O4 MolecularWeight: 560.6871

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCCOC1=CC=C(C=C1)C2=C3C(=CC=C2)N(N([NH+]3[O-])N4CCNCC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

COCCCCCCCCOC1=CC=C(C=C1)C2=C3C(=CC=C2)N(N([NH+]3[O-])N4CCNCC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C31H40N6O4/c1-40-22-6-4-2-3-5-7-23-41-27-15-13-25(14-16-27)28-11-8-12-29-30(28)36(39)37(34-20-18-32-19-21-34)35(29)31(38)26-10-9-17-33-24-26/h8-17,24,32,36H,2-7,18-23H2,1H3