N-(phenylmethyl)-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-(4-isopropylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-(4-cumoylpiperazin-1-ium-1-yl)acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-18(2)20-8-10-21(11-9-20)23(28)26-14-12-25(13-15-26)17-22(27)24-16-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,24,27)/p+1