4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]phenol Formula: C21H23N2O+ MolecularWeight: 319.42012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H22N2O/c24-20-10-8-19(9-11-20)23-14-12-22(13-15-23)16-18-6-3-5-17-4-1-2-7-21(17)18/h1-11,24H,12-16H2/p+1