1-(2H-chromen-3-yl)-3-(1-methylpiperazin-1-ium-1-yl)propan-1-one hydrochloride

Systemtic Name: 1-(2H-chromen-3-yl)-3-(1-methylpiperazin-1-ium-1-yl)propan-1-one hydrochloride Openeye Name: 1-(2H-chromen-3-yl)-3-(1-methylpiperazin-1-ium-1-yl)propan-1-one hydrochloride CAS Name: 1-(2H-1-benzopyran-3-yl)-3-(1-methyl-1-piperazin-1-iumyl)-1-propanone hydrochloride IUPAC Name: 1-(2H-chromen-3-yl)-3-(1-methylpiperazin-1-ium-1-yl)propan-1-one hydrochloride Traditional Name: 1-(2H-chromen-3-yl)-3-(1-methylpiperazin-1-ium-1-yl)propan-1-one hydrochloride Formula: C17H24ClN2O2+ MolecularWeight: 323.83766

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCC(=O)C2=CC3=CC=CC=C3OC2.Cl

Isomeric SMILES

C[N+]1(CCNCC1)CCC(=O)C2=CC3=CC=CC=C3OC2.Cl

InChI

InChI=1S/C17H23N2O2.ClH/c1-19(10-7-18-8-11-19)9-6-16(20)15-12-14-4-2-3-5-17(14)21-13-15;/h2-5,12,18H,6-11,13H2,1H3;1H/q+1;