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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-[(2-methoxyphenyl)methyl]aniline CAS Name: N-[(2-methoxyphenyl)methyl]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-[(2-methoxyphenyl)methyl]aniline Traditional Name: [4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-o-anisyl-amine Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1CNC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O/c1-29-25-10-6-5-9-22(25)19-26-23-11-13-24(14-12-23)28-17-15-27(16-18-28)20-21-7-3-2-4-8-21/h2-14,26H,15-20H2,1H3/p+1