6-[(3S)-3-methylpiperazin-4-ium-1-yl]pyridine-3-carboxylate

Systemtic Name: 6-[(3S)-3-methylpiperazin-4-ium-1-yl]pyridine-3-carboxylate Openeye Name: 6-[(3S)-3-methylpiperazin-4-ium-1-yl]pyridine-3-carboxylate CAS Name: 6-[(3S)-3-methyl-1-piperazin-4-iumyl]-3-pyridinecarboxylate IUPAC Name: 6-[(3S)-3-methylpiperazin-4-ium-1-yl]pyridine-3-carboxylate Traditional Name: 6-[(3S)-3-methylpiperazin-4-ium-1-yl]nicotinate Formula: C11H15N3O2 MolecularWeight: 221.2557

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=NC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=NC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C11H15N3O2/c1-8-7-14(5-4-12-8)10-3-2-9(6-13-10)11(15)16/h2-3,6,8,12H,4-5,7H2,1H3,(H,15,16)/t8-/m0/s1