(4-phenethylpiperazin-4-ium-1-yl)-pyridin-4-yl-methanone

Systemtic Name: (4-phenethylpiperazin-4-ium-1-yl)-pyridin-4-yl-methanone Openeye Name: (4-phenethylpiperazin-4-ium-1-yl)-(4-pyridyl)methanone CAS Name: (4-phenethyl-1-piperazin-4-iumyl)-pyridin-4-ylmethanone IUPAC Name: (4-phenethylpiperazin-4-ium-1-yl)-pyridin-4-ylmethanone Traditional Name: (4-phenethylpiperazin-4-ium-1-yl)-(4-pyridyl)methanone Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H21N3O/c22-18(17-6-9-19-10-7-17)21-14-12-20(13-15-21)11-8-16-4-2-1-3-5-16/h1-7,9-10H,8,11-15H2/p+1