(3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(azocan-1-yl)-2-oxo-ethyl]-4-(2-pyridylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(1-azocanyl)-2-oxoethyl]-4-(2-pyridinylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(azocan-1-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(azocan-1-yl)-2-keto-ethyl]-4-(2-pyridylmethyl)piperazin-4-ium-2-one Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=N3

Isomeric SMILES

C1CCCN(CCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=N3

InChI

InChI=1S/C19H28N4O2/c24-18(22-11-6-2-1-3-7-12-22)14-17-19(25)21-10-13-23(17)15-16-8-4-5-9-20-16/h4-5,8-9,17H,1-3,6-7,10-15H2,(H,21,25)/p+1/t17-/m1/s1