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

Systemtic Name: methyl (2S)-2-[[2-(4-ethylpiperazin-1-ium-1-yl)-1,3-dihydroinden-2-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[2-(4-ethylpiperazin-1-ium-1-yl)indane-2-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[2-(4-ethyl-1-piperazin-1-iumyl)-1,3-dihydroinden-2-yl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-ethylpiperazin-1-ium-1-yl)-1,3-dihydroindene-2-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-(4-ethylpiperazin-1-ium-1-yl)indane-2-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O3/c1-5-25-10-12-26(13-11-25)23(15-18-8-6-7-9-19(18)16-23)22(28)24-20(14-17(2)3)21(27)29-4/h6-9,17,20H,5,10-16H2,1-4H3,(H,24,28)/p+1/t20-/m0/s1