[4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-(2-naphthylmethyl)piperazin-4-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-(2-naphthalenylmethyl)-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: [4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-(2-naphthylmethyl)piperazin-4-ium-1-yl]-(3-pyridyl)methanone Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3C=C2)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3C=C2)C(=O)C4=CN=CC=C4

InChI

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