3-(2-ethylimidazol-1-yl)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]propan-1-one

Systemtic Name: 3-(2-ethylimidazol-1-yl)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]propan-1-one Openeye Name: 3-(2-ethylimidazol-1-yl)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]propan-1-one CAS Name: 3-(2-ethyl-1-imidazolyl)-1-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(2-ethylimidazol-1-yl)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]propan-1-one Traditional Name: 3-(2-ethylimidazol-1-yl)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]propan-1-one Formula: C24H36N5O2+ MolecularWeight: 426.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CN1CCC(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCC1=NC=CN1CCC(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C24H35N5O2/c1-3-23-25-11-14-28(23)13-10-24(30)29-12-6-7-20(19-29)26-15-17-27(18-16-26)21-8-4-5-9-22(21)31-2/h4-5,8-9,11,14,20H,3,6-7,10,12-13,15-19H2,1-2H3/p+1/t20-/m0/s1