1-[4-[3-(1-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]propyl ethanoate

Systemtic Name: 1-[4-[3-(1-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]propyl ethanoate Openeye Name: 1-[4-[3-(1-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]propyl acetate CAS Name: acetic acid 1-[4-[3-(1-phenyl-1-piperazin-1-iumyl)propoxy]phenyl]propyl ester IUPAC Name: 1-[4-[3-(1-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]propyl acetate Traditional Name: acetic acid 1-[4-[3-(1-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]propyl ester Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OCCC[N+]2(CCNCC2)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CCC(C1=CC=C(C=C1)OCCC[N+]2(CCNCC2)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C24H33N2O3/c1-3-24(29-20(2)27)21-10-12-23(13-11-21)28-19-7-16-26(17-14-25-15-18-26)22-8-5-4-6-9-22/h4-6,8-13,24-25H,3,7,14-19H2,1-2H3/q+1