methyl 4-[[2-(4-ethylpiperazin-1-ium-1-yl)-1,3-dihydroinden-2-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-ethylpiperazin-1-ium-1-yl)-1,3-dihydroinden-2-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[2-(4-ethylpiperazin-1-ium-1-yl)indane-2-carbonyl]amino]butanoate CAS Name: 4-[[[2-(4-ethyl-1-piperazin-1-iumyl)-1,3-dihydroinden-2-yl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-ethylpiperazin-1-ium-1-yl)-1,3-dihydroindene-2-carbonyl]amino]butanoate Traditional Name: 4-[[2-(4-ethylpiperazin-1-ium-1-yl)indane-2-carbonyl]amino]butyric acid methyl ester Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)NCCCC(=O)OC

Isomeric SMILES

CCN1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)NCCCC(=O)OC

InChI

InChI=1S/C21H31N3O3/c1-3-23-11-13-24(14-12-23)21(15-17-7-4-5-8-18(17)16-21)20(26)22-10-6-9-19(25)27-2/h4-5,7-8H,3,6,9-16H2,1-2H3,(H,22,26)/p+1