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

Systemtic Name: 1-[(3-butoxy-4-methoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-butoxy-4-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-butoxy-4-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3-butoxy-4-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-butoxy-4-methoxy-benzyl)piperazin-4-ium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CN2CC[NH2+]CC2)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CN2CC[NH2+]CC2)OC

InChI

InChI=1S/C16H26N2O2/c1-3-4-11-20-16-12-14(5-6-15(16)19-2)13-18-9-7-17-8-10-18/h5-6,12,17H,3-4,7-11,13H2,1-2H3/p+1