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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=CC=C(C=C3)N

Isomeric SMILES

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=CC=C(C=C3)N

InChI

InChI=1S/C17H22N3/c18-16-6-8-17(9-7-16)20(12-10-19-11-13-20)14-15-4-2-1-3-5-15/h1-9,19H,10-14,18H2/q+1