3-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]aniline

Systemtic Name: 3-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]aniline Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]aniline CAS Name: 3-[2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]aniline IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]aniline Traditional Name: [3-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]phenyl]amine Formula: C19H26N3O+ MolecularWeight: 312.42924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CCOC3=CC=CC(=C3)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CCOC3=CC=CC(=C3)N

InChI

InChI=1S/C19H25N3O/c20-18-7-4-8-19(15-18)23-14-13-21-9-11-22(12-10-21)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16,20H2/p+1