4-[4-[3-(2-methylphenoxy)propyl]piperazin-4-ium-1-yl]aniline

Systemtic Name: 4-[4-[3-(2-methylphenoxy)propyl]piperazin-4-ium-1-yl]aniline Openeye Name: 4-[4-[3-(2-methylphenoxy)propyl]piperazin-4-ium-1-yl]aniline CAS Name: 4-[4-[3-(2-methylphenoxy)propyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 4-[4-[3-(2-methylphenoxy)propyl]piperazin-4-ium-1-yl]aniline Traditional Name: [4-[4-[3-(2-methylphenoxy)propyl]piperazin-4-ium-1-yl]phenyl]amine Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC=CC=C1OCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)N

InChI

InChI=1S/C20H27N3O/c1-17-5-2-3-6-20(17)24-16-4-11-22-12-14-23(15-13-22)19-9-7-18(21)8-10-19/h2-3,5-10H,4,11-16,21H2,1H3/p+1