[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-methyl-3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-3-piperidinosulfonyl-phenyl)methanone Formula: C25H31N4O3S2+ MolecularWeight: 499.66864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H30N4O3S2/c1-19-9-10-20(17-23(19)34(31,32)29-11-5-2-6-12-29)25(30)28-15-13-27(14-16-28)18-24-26-21-7-3-4-8-22(21)33-24/h3-4,7-10,17H,2,5-6,11-16,18H2,1H3/p+1