8-[3-[1-ethanoyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-methyl-2-phenyl-chromen-4-one hydrate hydrochloride

Systemtic Name: 8-[3-[1-ethanoyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-methyl-2-phenyl-chromen-4-one hydrate hydrochloride Openeye Name: 8-[3-[1-acetyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-methyl-2-phenyl-chromen-4-one hydrate hydrochloride CAS Name: 8-[3-[1-acetyl-4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propylamino]-3-methyl-2-phenyl-1-benzopyran-4-one hydrate hydrochloride IUPAC Name: 8-[3-[1-acetyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-methyl-2-phenylchromen-4-one hydrate hydrochloride Traditional Name: 8-[3-[1-acetyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-methyl-2-phenyl-chromone hydrate hydrochloride Formula: C32H39ClN3O5+ MolecularWeight: 581.12216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2NCCC[N+]3(CCN(CC3)C4=CC=CC=C4OC)C(=O)C)C5=CC=CC=C5.O.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2NCCC[N+]3(CCN(CC3)C4=CC=CC=C4OC)C(=O)C)C5=CC=CC=C5.O.Cl

InChI

InChI=1S/C32H36N3O4.ClH.H2O/c1-23-30(37)26-13-9-14-27(32(26)39-31(23)25-11-5-4-6-12-25)33-17-10-20-35(24(2)36)21-18-34(19-22-35)28-15-7-8-16-29(28)38-3;;/h4-9,11-16,33H,10,17-22H2,1-3H3;1H;1H2/q+1;;