4-(2-tert-butylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-(2-tert-butylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-(2-tert-butylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-(2-tert-butylphenoxy)-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(2-tert-butylphenoxy)-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-(2-tert-butylphenoxy)-1-piperazin-4-ium-1-yl-butan-1-one Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCCCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCCCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C18H28N2O2/c1-18(2,3)15-7-4-5-8-16(15)22-14-6-9-17(21)20-12-10-19-11-13-20/h4-5,7-8,19H,6,9-14H2,1-3H3/p+1