(2-methylfuran-3-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: (2-methylfuran-3-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone Openeye Name: (2-methyl-3-furyl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methanone CAS Name: (2-methyl-3-furanyl)-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: (2-methylfuran-3-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone Traditional Name: (2-methyl-3-furyl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3O2/c1-17-20(9-15-26-17)21(25)24-10-5-8-19(16-24)23-13-11-22(12-14-23)18-6-3-2-4-7-18/h2-4,6-7,9,15,19H,5,8,10-14,16H2,1H3/p+1/t19-/m0/s1