2-[4-[[(1S)-1-(3-bromophenyl)ethyl]carbamoylamino]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-[[(1S)-1-(3-bromophenyl)ethyl]carbamoylamino]piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[[(1S)-1-(3-bromophenyl)ethyl]carbamoylamino]piperidin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[[[(1S)-1-(3-bromophenyl)ethyl]amino]-oxomethyl]amino]-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-[4-[[(1S)-1-(3-bromophenyl)ethyl]carbamoylamino]piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[[(1S)-1-(3-bromophenyl)ethyl]carbamoylamino]piperidin-1-ium-1-yl]acetamide Formula: C16H24BrN4O2+ MolecularWeight: 384.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Br)NC(=O)NC2CC[NH+](CC2)CC(=O)N

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)Br)NC(=O)NC2CC[NH+](CC2)CC(=O)N

InChI

InChI=1S/C16H23BrN4O2/c1-11(12-3-2-4-13(17)9-12)19-16(23)20-14-5-7-21(8-6-14)10-15(18)22/h2-4,9,11,14H,5-8,10H2,1H3,(H2,18,22)(H2,19,20,23)/p+1/t11-/m0/s1