(4-tert-butylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-tert-butylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-tert-butylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-tert-butylphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-tert-butylphenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H25N3O/c1-20(2,3)17-9-7-16(8-10-17)19(24)23-14-12-22(13-15-23)18-6-4-5-11-21-18/h4-11H,12-15H2,1-3H3/p+1