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

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)aniline CAS Name: 3-[4-(phenylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)aniline Traditional Name: [3-(4-benzylpiperazin-4-ium-1-yl)phenyl]amine Formula: C17H22N3+ MolecularWeight: 268.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3/c18-16-7-4-8-17(13-16)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14,18H2/p+1