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

Systemtic Name: 1-[(4-butoxyphenyl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(4-butoxyphenyl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(4-butoxyphenyl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(4-butoxyphenyl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-(4-butoxybenzyl)-4-phenyl-piperazin-1-ium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-2-3-17-24-21-11-9-19(10-12-21)18-22-13-15-23(16-14-22)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3/p+1