[2-[4-(4-methylpentoxy)phenyl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-(2-piperazin-1-ylphenyl)methanone

Systemtic Name: [2-[4-(4-methylpentoxy)phenyl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-(2-piperazin-1-ylphenyl)methanone Openeye Name: [2-(4-isohexyloxyphenyl)-3-oxido-3H-benzotriazol-3-ium-1-yl]-(2-piperazin-1-ylphenyl)methanone CAS Name: [2-[4-(4-methylpentoxy)phenyl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-[2-(1-piperazinyl)phenyl]methanone IUPAC Name: [2-[4-(4-methylpentoxy)phenyl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-(2-piperazin-1-ylphenyl)methanone Traditional Name: [2-(4-isohexyloxyphenyl)-3-oxido-3H-benzotriazol-3-ium-1-yl]-(2-piperazinophenyl)methanone Formula: C29H35N5O3 MolecularWeight: 501.6199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=CC=C(C=C1)N2[NH+](C3=CC=CC=C3N2C(=O)C4=CC=CC=C4N5CCNCC5)[O-]

Isomeric SMILES

CC(C)CCCOC1=CC=C(C=C1)N2[NH+](C3=CC=CC=C3N2C(=O)C4=CC=CC=C4N5CCNCC5)[O-]

InChI

InChI=1S/C29H35N5O3/c1-22(2)8-7-21-37-24-15-13-23(14-16-24)33-32(27-11-5-6-12-28(27)34(33)36)29(35)25-9-3-4-10-26(25)31-19-17-30-18-20-31/h3-6,9-16,22,30,34H,7-8,17-21H2,1-2H3