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

Systemtic Name: 1-[3-methoxy-4-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-(4-benzylpiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[3-methoxy-4-[3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propoxy]phenyl]ethanone IUPAC Name: 1-[4-[3-(4-benzylpiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[3-(4-benzylpiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]ethanone Formula: C24H32NO3+ MolecularWeight: 382.51578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3/c1-19(26)22-9-10-23(24(18-22)27-2)28-16-6-13-25-14-11-21(12-15-25)17-20-7-4-3-5-8-20/h3-5,7-10,18,21H,6,11-17H2,1-2H3/p+1