1-(piperidin-1-ium-1-ylmethyl)cinnolin-4-one

Systemtic Name: 1-(piperidin-1-ium-1-ylmethyl)cinnolin-4-one Openeye Name: 1-(piperidin-1-ium-1-ylmethyl)cinnolin-4-one CAS Name: 1-(1-piperidin-1-iumylmethyl)-4-cinnolinone IUPAC Name: 1-(piperidin-1-ium-1-ylmethyl)cinnolin-4-one Traditional Name: 1-(piperidin-1-ium-1-ylmethyl)cinnolin-4-one Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C14H17N3O/c18-14-10-15-17(11-16-8-4-1-5-9-16)13-7-3-2-6-12(13)14/h2-3,6-7,10H,1,4-5,8-9,11H2/p+1