(4-tert-butylphenyl)-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-tert-butylphenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-tert-butylphenyl)-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: (4-tert-butylphenyl)-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-tert-butylphenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-tert-butylphenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-5-10-19-11-13-20(14-12-19)17(21)15-6-8-16(9-7-15)18(2,3)4/h6-9H,5,10-14H2,1-4H3/p+1