2-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[(5-phenyl-2-thienyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[(5-phenyl-2-thienyl)methyl]piperazin-4-ium-1-yl]nicotinonitrile Formula: C21H21N4S+ MolecularWeight: 361.48324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3)C4=C(C=CC=N4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C21H20N4S/c22-15-18-7-4-10-23-21(18)25-13-11-24(12-14-25)16-19-8-9-20(26-19)17-5-2-1-3-6-17/h1-10H,11-14,16H2/p+1