1-pyridin-1-ium-2-yl-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-pyridin-1-ium-2-yl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-pyridin-1-ium-2-yl-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(2-pyridin-1-iumyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-pyridin-1-ium-2-yl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-pyridin-1-ium-2-yl-4-(2-thenyl)piperazin-4-ium Formula: C14H19N3S+2 MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H17N3S/c1-2-6-15-14(5-1)17-9-7-16(8-10-17)12-13-4-3-11-18-13/h1-6,11H,7-10,12H2/p+2