[1-[4-(4-heptoxyphenyl)piperazin-1-yl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-pyridin-3-yl-methanone

Systemtic Name: [1-[4-(4-heptoxyphenyl)piperazin-1-yl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-pyridin-3-yl-methanone Openeye Name: [1-[4-(4-heptoxyphenyl)piperazin-1-yl]-3-oxido-benzotriazol-3-ium-4-yl]-(3-pyridyl)methanone CAS Name: [1-[4-(4-heptoxyphenyl)-1-piperazinyl]-3-oxido-4-benzotriazol-3-iumyl]-(3-pyridinyl)methanone IUPAC Name: [1-[4-(4-heptoxyphenyl)piperazin-1-yl]-3-oxidobenzotriazol-3-ium-4-yl]-pyridin-3-ylmethanone Traditional Name: [1-[4-(4-heptoxyphenyl)piperazino]-3-oxido-benzotriazol-3-ium-4-yl]-(3-pyridyl)methanone Formula: C29H34N6O3 MolecularWeight: 514.61866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CN=CC=C5

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CN=CC=C5

InChI

InChI=1S/C29H34N6O3/c1-2-3-4-5-6-21-38-25-14-12-24(13-15-25)32-17-19-33(20-18-32)34-27-11-7-10-26(28(27)35(37)31-34)29(36)23-9-8-16-30-22-23/h7-16,22H,2-6,17-21H2,1H3