[6-[4-(4-heptoxyphenyl)piperazin-1-yl]pyridin-3-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [6-[4-(4-heptoxyphenyl)piperazin-1-yl]pyridin-3-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [6-[4-(4-heptoxyphenyl)piperazin-1-yl]-3-pyridyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [6-[4-(4-heptoxyphenyl)-1-piperazinyl]-3-pyridinyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [6-[4-(4-heptoxyphenyl)piperazin-1-yl]pyridin-3-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [6-[4-(4-heptoxyphenyl)piperazino]-3-pyridyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C29H34N6O3 MolecularWeight: 514.61866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C29H34N6O3/c1-2-3-4-5-8-21-38-25-14-12-24(13-15-25)32-17-19-33(20-18-32)28-16-11-23(22-30-28)29(36)34-26-9-6-7-10-27(26)35(37)31-34/h6-7,9-16,22H,2-5,8,17-21H2,1H3