[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-(4-methylpiperidino)sulfonylphenyl]methanone Formula: C25H31N4O3S2+ MolecularWeight: 499.66864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H30N4O3S2/c1-19-10-12-29(13-11-19)34(31,32)21-8-6-20(7-9-21)25(30)28-16-14-27(15-17-28)18-24-26-22-4-2-3-5-23(22)33-24/h2-9,19H,10-18H2,1H3/p+1