6-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-amine

Systemtic Name: 6-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-amine Openeye Name: 6-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-amine CAS Name: 6-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumamine IUPAC Name: 6-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-amine Traditional Name: [6-[4-(2-thenyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]amine Formula: C14H20N4S+2 MolecularWeight: 276.4004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C3=[NH+]C=C(C=C3)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C3=[NH+]C=C(C=C3)N

InChI

InChI=1S/C14H18N4S/c15-12-3-4-14(16-10-12)18-7-5-17(6-8-18)11-13-2-1-9-19-13/h1-4,9-10H,5-8,11,15H2/p+2