1-(4-ethylpiperazin-1-yl)-3-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[1-[(3S)-3-(5-methyl-2-furyl)butyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[1-[(3S)-3-(5-methyl-2-furanyl)butyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-ethylpiperazino)-3-[1-[(3S)-3-(5-methyl-2-furyl)butyl]piperidin-1-ium-4-yl]propan-1-one Formula: C23H40N3O2+ MolecularWeight: 390.5826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CCC(C)C3=CC=C(O3)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC[C@H](C)C3=CC=C(O3)C

InChI

InChI=1S/C23H39N3O2/c1-4-24-15-17-26(18-16-24)23(27)8-6-21-10-13-25(14-11-21)12-9-19(2)22-7-5-20(3)28-22/h5,7,19,21H,4,6,8-18H2,1-3H3/p+1/t19-/m0/s1