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

Systemtic Name: N,N-diethyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]aniline Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N,N-diethyl-aniline CAS Name: N,N-diethyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]aniline IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N,N-diethylaniline Traditional Name: [4-[(4-benzylpiperazin-1-ium-1-yl)methyl]phenyl]-diethyl-amine Formula: C22H32N3+ MolecularWeight: 338.50958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N3/c1-3-25(4-2)22-12-10-21(11-13-22)19-24-16-14-23(15-17-24)18-20-8-6-5-7-9-20/h5-13H,3-4,14-19H2,1-2H3/p+1