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

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-[(4-ethoxyphenyl)methyl]aniline CAS Name: N-[(4-ethoxyphenyl)methyl]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-[(4-ethoxyphenyl)methyl]aniline Traditional Name: [4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-(4-ethoxybenzyl)amine Formula: C26H32N3O+ MolecularWeight: 402.55178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O/c1-2-30-26-14-8-22(9-15-26)20-27-24-10-12-25(13-11-24)29-18-16-28(17-19-29)21-23-6-4-3-5-7-23/h3-15,27H,2,16-21H2,1H3/p+1