1-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Openeye Name: 1-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one CAS Name: 1-[4-(2,6-dimethyl-4-pyridin-1-iumyl)-1-piperazinyl]-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Traditional Name: 1-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazino]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Formula: C20H34N4O+2 MolecularWeight: 346.51016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O/c1-16-5-4-7-22(15-16)8-6-20(25)24-11-9-23(10-12-24)19-13-17(2)21-18(3)14-19/h13-14,16H,4-12,15H2,1-3H3/p+2/t16-/m0/s1