4-(2-bromophenyl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]piperazine-1-carboxamide

Systemtic Name: 4-(2-bromophenyl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]piperazine-1-carboxamide Openeye Name: 4-(2-bromophenyl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]piperazine-1-carboxamide CAS Name: 4-(2-bromophenyl)sulfonyl-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-bromophenyl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]piperazine-1-carboxamide Traditional Name: 4-(2-bromophenyl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]piperazine-1-carboxamide Formula: C20H32BrN4O3S+ MolecularWeight: 488.46208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H31BrN4O3S/c1-17-7-11-23(12-8-17)10-4-9-22-20(26)24-13-15-25(16-14-24)29(27,28)19-6-3-2-5-18(19)21/h2-3,5-6,17H,4,7-16H2,1H3,(H,22,26)/p+1