N-[(3-methoxyphenyl)methyl]-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline Openeye Name: N-[(3-methoxyphenyl)methyl]-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline CAS Name: N-[(3-methoxyphenyl)methyl]-4-[2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]aniline IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline Traditional Name: m-anisyl-[4-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethyl]phenyl]amine Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=CC=C(C=C2)CC[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=CC=C(C=C2)CC[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H29N5O/c1-30-23-5-2-4-21(18-23)19-27-22-8-6-20(7-9-22)10-13-28-14-16-29(17-15-28)24-25-11-3-12-26-24/h2-9,11-12,18,27H,10,13-17,19H2,1H3/p+1