3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-6-methyl-chromen-4-one

Systemtic Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-6-methyl-chromen-4-one Openeye Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-6-methyl-chromen-4-one CAS Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)-1-piperazin-4-iumyl]methyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-6-methylchromen-4-one Traditional Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-6-methyl-chromone Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)CN3CC[NH+](C(C3)CCO)CC=C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)CN3CC[NH+]([C@H](C3)CCO)CC=C(C)C

InChI

InChI=1S/C22H30N2O3/c1-16(2)6-8-24-10-9-23(14-19(24)7-11-25)13-18-15-27-21-5-4-17(3)12-20(21)22(18)26/h4-6,12,15,19,25H,7-11,13-14H2,1-3H3/p+1/t19-/m0/s1