(3S)-3-(quinolin-2-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3S)-3-(quinolin-2-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3S)-3-(2-quinolylmethyl)piperazin-4-ium-2-one CAS Name: (3S)-3-(2-quinolinylmethyl)-2-piperazin-4-iumone IUPAC Name: (3S)-3-(quinolin-2-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3S)-3-(2-quinolylmethyl)piperazin-4-ium-2-one Formula: C14H16N3O+ MolecularWeight: 242.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1CNC(=O)[C@@H]([NH2+]1)CC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C14H15N3O/c18-14-13(15-7-8-16-14)9-11-6-5-10-3-1-2-4-12(10)17-11/h1-6,13,15H,7-9H2,(H,16,18)/p+1/t13-/m0/s1