2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]nicotinonitrile Formula: C18H21N4O+ MolecularWeight: 309.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=C(C=CC=N3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C18H20N4O/c19-15-16-5-4-8-20-18(16)22-11-9-21(10-12-22)13-14-23-17-6-2-1-3-7-17/h1-8H,9-14H2/p+1