N-propan-2-yl-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-propan-2-yl-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-isopropyl-2-[4-[4-[(isopropylcarbamoylamino)methyl]benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-[4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl]methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: N-propan-2-yl-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-isopropyl-2-[4-[4-[(isopropylcarbamoylamino)methyl]benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H34N5O3+ MolecularWeight: 404.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

InChI

InChI=1S/C21H33N5O3/c1-15(2)23-19(27)14-25-9-11-26(12-10-25)20(28)18-7-5-17(6-8-18)13-22-21(29)24-16(3)4/h5-8,15-16H,9-14H2,1-4H3,(H,23,27)(H2,22,24,29)/p+1