4,6-dimethyl-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-[4-(3-thenyl)piperazin-4-ium-1-yl]nicotinonitrile Formula: C17H21N4S+ MolecularWeight: 313.44044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CC[NH+](CC2)CC3=CSC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CC[NH+](CC2)CC3=CSC=C3)C

InChI

InChI=1S/C17H20N4S/c1-13-9-14(2)19-17(16(13)10-18)21-6-4-20(5-7-21)11-15-3-8-22-12-15/h3,8-9,12H,4-7,11H2,1-2H3/p+1