2-[4-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(3S)-1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[(3S)-1-(2-methyl-1-oxopropyl)-3-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(3S)-1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(3S)-1-isobutyrylnipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCC(C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCC[C@@H](C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H34N4O3/c1-18(2)22(29)27-10-6-9-20(16-27)23(30)26-13-11-25(12-14-26)17-21(28)24-15-19-7-4-3-5-8-19/h3-5,7-8,18,20H,6,9-17H2,1-2H3,(H,24,28)/p+1/t20-/m0/s1