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

Systemtic Name: 1-[3-methoxy-4-[4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butoxy]phenyl]ethanone Openeye Name: 1-[4-[4-(4-benzylpiperazin-1-ium-1-yl)butoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[3-methoxy-4-[4-[4-(phenylmethyl)-1-piperazin-1-iumyl]butoxy]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-benzylpiperazin-1-ium-1-yl)butoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[4-(4-benzylpiperazin-1-ium-1-yl)butoxy]-3-methoxy-phenyl]ethanone Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3/c1-20(27)22-10-11-23(24(18-22)28-2)29-17-7-6-12-25-13-15-26(16-14-25)19-21-8-4-3-5-9-21/h3-5,8-11,18H,6-7,12-17,19H2,1-2H3/p+1