1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(4-ethoxy-3-methoxy-phenyl)methyl]piperazin-1-ium CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-benzyl-4-(4-ethoxy-3-methoxy-benzyl)piperazin-1-ium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H28N2O2/c1-3-25-20-10-9-19(15-21(20)24-2)17-23-13-11-22(12-14-23)16-18-7-5-4-6-8-18/h4-10,15H,3,11-14,16-17H2,1-2H3/p+1