1-methyl-1-[1-[3-(4-phenylphenyl)phenoxy]hexan-3-yl]piperazin-1-ium

Systemtic Name: 1-methyl-1-[1-[3-(4-phenylphenyl)phenoxy]hexan-3-yl]piperazin-1-ium Openeye Name: 1-methyl-1-[1-[2-[3-(4-phenylphenyl)phenoxy]ethyl]butyl]piperazin-1-ium CAS Name: 1-methyl-1-[1-[3-(4-phenylphenyl)phenoxy]hexan-3-yl]piperazin-1-ium IUPAC Name: 1-methyl-1-[1-[3-(4-phenylphenyl)phenoxy]hexan-3-yl]piperazin-1-ium Traditional Name: 1-methyl-1-[1-[2-[3-(4-phenylphenyl)phenoxy]ethyl]butyl]piperazin-1-ium Formula: C29H37N2O+ MolecularWeight: 429.61688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCOC1=CC=CC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)[N+]4(CCNCC4)C

Isomeric SMILES

CCCC(CCOC1=CC=CC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)[N+]4(CCNCC4)C

InChI

InChI=1S/C29H37N2O/c1-3-8-28(31(2)20-18-30-19-21-31)17-22-32-29-12-7-11-27(23-29)26-15-13-25(14-16-26)24-9-5-4-6-10-24/h4-7,9-16,23,28,30H,3,8,17-22H2,1-2H3/q+1