1-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(3-benzoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-3-methyl-butan-1-one Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O3/c1-19(2)15-24(27)26-13-11-25(12-14-26)17-21-9-10-22(28-3)23(16-21)29-18-20-7-5-4-6-8-20/h4-10,16,19H,11-15,17-18H2,1-3H3/p+1