3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-[4-(3-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-[4-(3-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-[4-(3-pyridyl)piperazino]propan-1-one Formula: C18H29N4O+ MolecularWeight: 317.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C3=CN=CC=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C3=CN=CC=C3

InChI

InChI=1S/C18H28N4O/c1-16-4-3-8-20(15-16)9-6-18(23)22-12-10-21(11-13-22)17-5-2-7-19-14-17/h2,5,7,14,16H,3-4,6,8-13,15H2,1H3/p+1/t16-/m0/s1