1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(4-ethylbenzyl)piperazin-4-ium-1-yl]-3-methyl-butan-1-one Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC(C)C

InChI

InChI=1S/C18H28N2O/c1-4-16-5-7-17(8-6-16)14-19-9-11-20(12-10-19)18(21)13-15(2)3/h5-8,15H,4,9-14H2,1-3H3/p+1