[1-[4-(4-hexylphenyl)piperazin-1-yl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-[4-(4-hexylphenyl)piperazin-1-yl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-phenyl-methanone Openeye Name: [1-[4-(4-hexylphenyl)piperazin-1-yl]-3-oxido-benzotriazol-3-ium-4-yl]-phenyl-methanone CAS Name: [1-[4-(4-hexylphenyl)-1-piperazinyl]-3-oxido-4-benzotriazol-3-iumyl]-phenylmethanone IUPAC Name: [1-[4-(4-hexylphenyl)piperazin-1-yl]-3-oxidobenzotriazol-3-ium-4-yl]-phenylmethanone Traditional Name: [1-[4-(4-hexylphenyl)piperazino]-3-oxido-benzotriazol-3-ium-4-yl]-phenyl-methanone Formula: C29H33N5O2 MolecularWeight: 483.60462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N2CCN(CC2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N2CCN(CC2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H33N5O2/c1-2-3-4-6-10-23-15-17-25(18-16-23)31-19-21-32(22-20-31)33-27-14-9-13-26(28(27)34(36)30-33)29(35)24-11-7-5-8-12-24/h5,7-9,11-18H,2-4,6,10,19-22H2,1H3