1-(3-chlorophenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(4-hexoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-(4-hexoxybenzyl)piperazin-4-ium Formula: C23H32ClN2O+ MolecularWeight: 387.96598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H31ClN2O/c1-2-3-4-5-17-27-23-11-9-20(10-12-23)19-25-13-15-26(16-14-25)22-8-6-7-21(24)18-22/h6-12,18H,2-5,13-17,19H2,1H3/p+1