naphthalen-1-yl-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: naphthalen-1-yl-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 1-naphthyl-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 1-naphthalenyl-[4-(3-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: naphthalen-1-yl-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 1-naphthyl-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H23N3O+2 MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C[NH+]=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=C[NH+]=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O/c25-21(20-9-3-7-18-6-1-2-8-19(18)20)24-13-11-23(12-14-24)16-17-5-4-10-22-15-17/h1-10,15H,11-14,16H2/p+2