2-pyridin-4-yl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-pyridin-4-yl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-(4-pyridyl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)-1-piperidyl]ethanone CAS Name: 2-pyridin-4-yl-1-[(3S)-3-(1-pyrrolidin-1-iumylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-pyridin-4-yl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]ethanone Traditional Name: 2-(4-pyridyl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidino]ethanone Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2CCCN(C2)C(=O)CC3=CC=NC=C3

Isomeric SMILES

C1CC[NH+](C1)C[C@H]2CCCN(C2)C(=O)CC3=CC=NC=C3

InChI

InChI=1S/C17H25N3O/c21-17(12-15-5-7-18-8-6-15)20-11-3-4-16(14-20)13-19-9-1-2-10-19/h5-8,16H,1-4,9-14H2/p+1/t16-/m1/s1