3-[(3S)-1-ethylpiperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-[(3S)-1-ethylpiperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3S)-1-ethylpiperidin-1-ium-3-yl]propan-1-one CAS Name: 3-[(3S)-1-ethyl-3-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3S)-1-ethylpiperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3S)-1-ethylpiperidin-1-ium-3-yl]propan-1-one Formula: C21H35N3O+2 MolecularWeight: 345.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC[C@H](C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H33N3O/c1-2-22-12-6-9-20(17-22)10-11-21(25)24-15-13-23(14-16-24)18-19-7-4-3-5-8-19/h3-5,7-8,20H,2,6,9-18H2,1H3/p+2/t20-/m0/s1