1-[(4-butoxyphenyl)methyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[(4-butoxyphenyl)methyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(4-butoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(4-butoxyphenyl)methyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(4-butoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-benzyl-4-(4-butoxybenzyl)piperazin-1-ium Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O/c1-2-3-17-25-22-11-9-21(10-12-22)19-24-15-13-23(14-16-24)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3/p+1