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

Systemtic Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-4-ylpiperazino)propan-1-one Formula: C18H30N4O+2 MolecularWeight: 318.457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O/c1-16-3-2-9-20(15-16)10-6-18(23)22-13-11-21(12-14-22)17-4-7-19-8-5-17/h4-5,7-8,16H,2-3,6,9-15H2,1H3/p+2/t16-/m0/s1