N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-piperidin-1-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-piperidin-1-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-[oxo(1-piperidinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H30BrN4O2+ MolecularWeight: 438.3818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)C[NH+]2CCN(CC2)C(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)C[NH+]2CCN(CC2)C(=O)N3CCCCC3

InChI

InChI=1S/C20H29BrN4O2/c1-16(17-5-7-18(21)8-6-17)22-19(26)15-23-11-13-25(14-12-23)20(27)24-9-3-2-4-10-24/h5-8,16H,2-4,9-15H2,1H3,(H,22,26)/p+1/t16-/m0/s1