4-(4-ethoxyphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 4-(4-ethoxyphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(4-ethoxyphenoxy)butan-1-one CAS Name: 4-(4-ethoxyphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(4-ethoxyphenoxy)butan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(4-ethoxyphenoxy)butan-1-one Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3/c1-2-27-21-10-12-22(13-11-21)28-18-6-9-23(26)25-16-14-24(15-17-25)19-20-7-4-3-5-8-20/h3-5,7-8,10-13H,2,6,9,14-19H2,1H3/p+1