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

Systemtic Name: N,N-diethyl-4-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]iminomethyl]aniline Openeye Name: 4-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-N,N-diethyl-aniline CAS Name: N,N-diethyl-4-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]iminomethyl]aniline IUPAC Name: 4-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-N,N-diethylaniline Traditional Name: [4-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenyl]-diethyl-amine Formula: C28H35N4+ MolecularWeight: 427.6043

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H34N4/c1-3-31(4-2)27-14-10-24(11-15-27)22-29-26-12-16-28(17-13-26)32-20-18-30(19-21-32)23-25-8-6-5-7-9-25/h5-17,22H,3-4,18-21,23H2,1-2H3/p+1