2-[4-[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[1-[(4-bromophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[1-(4-bromobenzoyl)isonipecotoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C22H30BrN4O3+ MolecularWeight: 478.4026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H29BrN4O3/c23-18-3-1-16(2-4-18)21(29)26-9-7-17(8-10-26)22(30)27-13-11-25(12-14-27)15-20(28)24-19-5-6-19/h1-4,17,19H,5-15H2,(H,24,28)/p+1