[3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[3-bromo-5-[(4-methyl-1-piperidyl)sulfonyl]phenyl]methanone CAS Name: [3-bromo-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[3-bromo-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[3-bromo-5-(4-methylpiperidino)sulfonyl-phenyl]methanone Formula: C24H31BrN3O3S+ MolecularWeight: 521.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C24H30BrN3O3S/c1-19-7-9-28(10-8-19)32(30,31)23-16-21(15-22(25)17-23)24(29)27-13-11-26(12-14-27)18-20-5-3-2-4-6-20/h2-6,15-17,19H,7-14,18H2,1H3/p+1