1-[3-(3-butoxyphenoxy)propyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[3-(3-butoxyphenoxy)propyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[3-(3-butoxyphenoxy)propyl]-4-methyl-piperazin-4-ium CAS Name: 1-[3-(3-butoxyphenoxy)propyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[3-(3-butoxyphenoxy)propyl]-4-methylpiperazin-4-ium Traditional Name: 1-[3-(3-butoxyphenoxy)propyl]-4-methyl-piperazin-4-ium Formula: C18H31N2O2+ MolecularWeight: 307.45094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C1)OCCCN2CC[NH+](CC2)C

Isomeric SMILES

CCCCOC1=CC(=CC=C1)OCCCN2CC[NH+](CC2)C

InChI

InChI=1S/C18H30N2O2/c1-3-4-14-21-17-7-5-8-18(16-17)22-15-6-9-20-12-10-19(2)11-13-20/h5,7-8,16H,3-4,6,9-15H2,1-2H3/p+1