naphthalen-2-yl-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: naphthalen-2-yl-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 2-naphthyl-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 2-naphthalenyl-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: naphthalen-2-yl-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 2-naphthyl-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC4=CC=CC=C4C=C3

InChI

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