N-[(2-ethoxyphenyl)methyl]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-[(2-ethoxyphenyl)methyl]aniline CAS Name: N-[(2-ethoxyphenyl)methyl]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-[(2-ethoxyphenyl)methyl]aniline Traditional Name: [4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-(2-ethoxybenzyl)amine Formula: C26H32N3O+ MolecularWeight: 402.55178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1CNC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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