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

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)aniline CAS Name: 4-[4-(phenylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)aniline Traditional Name: [4-(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=C(C=C3)N

Isomeric SMILES

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

InChI

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