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

Systemtic Name: 4-[4-[3-(3-methylphenoxy)propyl]piperazin-4-ium-1-yl]aniline Openeye Name: 4-[4-[3-(3-methylphenoxy)propyl]piperazin-4-ium-1-yl]aniline CAS Name: 4-[4-[3-(3-methylphenoxy)propyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 4-[4-[3-(3-methylphenoxy)propyl]piperazin-4-ium-1-yl]aniline Traditional Name: [4-[4-[3-(3-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=C1)OCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC(=CC=C1)OCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)N

InChI

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