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

Systemtic Name: [2-[4-(4-heptoxyphenyl)piperazin-1-yl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Openeye Name: [2-[4-(4-heptoxyphenyl)piperazin-1-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone CAS Name: [2-[4-(4-heptoxyphenyl)-1-piperazinyl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenylmethanone IUPAC Name: [2-[4-(4-heptoxyphenyl)piperazin-1-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenylmethanone Traditional Name: [2-[4-(4-heptoxyphenyl)piperazino]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Formula: C30H37N5O3 MolecularWeight: 515.64648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C30H37N5O3/c1-2-3-4-5-11-24-38-27-18-16-26(17-19-27)31-20-22-32(23-21-31)35-33(30(36)25-12-7-6-8-13-25)28-14-9-10-15-29(28)34(35)37/h6-10,12-19,34H,2-5,11,20-24H2,1H3