[4-[(2-oxidanylnaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[(2-oxidanylnaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-[(2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[(2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2/c25-20-6-5-16-3-1-2-4-18(16)19(20)15-23-11-13-24(14-12-23)21(26)17-7-9-22-10-8-17/h1-10,25H,11-15H2/p+1