(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H32N4OS+2 MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H30N4OS/c1-3-23-12-14-25(15-13-23)21(26)16(2)24-10-8-17(9-11-24)20-22-18-6-4-5-7-19(18)27-20/h4-7,16-17H,3,8-15H2,1-2H3/p+2/t16-/m0/s1