1-[3-methoxy-4-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[3-methoxy-4-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propoxy]phenyl]ethanone IUPAC Name: 1-[4-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]ethanone Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCC[NH+]2CCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCC[NH+]2CCN(CC2)CC3=CC=CC=C3)OC

InChI

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