2-[2-[[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole

Systemtic Name: 2-[2-[[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole Openeye Name: 2-[2-[[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]methyl]pyrrol-1-yl]thiazole CAS Name: 2-[2-[[(3S)-3-ethyl-4-methyl-1-piperazin-4-iumyl]methyl]-1-pyrrolyl]thiazole IUPAC Name: 2-[2-[[(3S)-3-ethyl-4-methylpiperazin-4-ium-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole Traditional Name: 2-[2-[[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]methyl]pyrrol-1-yl]thiazole Formula: C15H23N4S+ MolecularWeight: 291.43492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C)CC2=CC=CN2C3=NC=CS3

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C)CC2=CC=CN2C3=NC=CS3

InChI

InChI=1S/C15H22N4S/c1-3-13-11-18(9-8-17(13)2)12-14-5-4-7-19(14)15-16-6-10-20-15/h4-7,10,13H,3,8-9,11-12H2,1-2H3/p+1/t13-/m0/s1