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

Systemtic Name: 4-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]aniline Openeye Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]aniline CAS Name: 4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]aniline IUPAC Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]aniline Traditional Name: [4-[(4-benzylpiperazin-4-ium-1-yl)methyl]phenyl]amine Formula: C18H24N3+ MolecularWeight: 282.40326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(C=C3)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(C=C3)N

InChI

InChI=1S/C18H23N3/c19-18-8-6-17(7-9-18)15-21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9H,10-15,19H2/p+1