1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-thiophen-2-yl-methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-thiophen-2-yl-methyl]piperazin-4-ium Openeye Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(2-thienyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-thiophen-2-ylmethyl]piperazin-4-ium IUPAC Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-thiophen-2-ylmethyl]piperazin-4-ium Traditional Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(2-thienyl)methyl]piperazin-4-ium Formula: C13H20N4S+2 MolecularWeight: 264.3897

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)C(C2=CC=CS2)N3CC[NH2+]CC3

Isomeric SMILES

C[N+]1=C(NC=C1)[C@@H](C2=CC=CS2)N3CC[NH2+]CC3

InChI

InChI=1S/C13H18N4S/c1-16-7-6-15-13(16)12(11-3-2-10-18-11)17-8-4-14-5-9-17/h2-3,6-7,10,12,14H,4-5,8-9H2,1H3/p+2/t12-/m1/s1