N-(naphthalen-1-ylmethyl)-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline

Systemtic Name: N-(naphthalen-1-ylmethyl)-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline Openeye Name: N-(1-naphthylmethyl)-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline CAS Name: N-(1-naphthalenylmethyl)-4-[2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]aniline IUPAC Name: N-(naphthalen-1-ylmethyl)-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline Traditional Name: 1-naphthylmethyl-[4-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethyl]phenyl]amine Formula: C27H30N5+ MolecularWeight: 424.5606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=C(C=C2)NCC3=CC=CC4=CC=CC=C43)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=C(C=C2)NCC3=CC=CC4=CC=CC=C43)C5=NC=CC=N5

InChI

InChI=1S/C27H29N5/c1-2-8-26-23(5-1)6-3-7-24(26)21-30-25-11-9-22(10-12-25)13-16-31-17-19-32(20-18-31)27-28-14-4-15-29-27/h1-12,14-15,30H,13,16-21H2/p+1