9H-fluoren-9-ylmethyl 2-azanyl-6-[[4-(4-chlorophenyl)-1-methyl-piperidin-1-ium-1-yl]carbonylamino]hexanoate

Systemtic Name: 9H-fluoren-9-ylmethyl 2-azanyl-6-[[4-(4-chlorophenyl)-1-methyl-piperidin-1-ium-1-yl]carbonylamino]hexanoate Openeye Name: 9H-fluoren-9-ylmethyl 2-amino-6-[[4-(4-chlorophenyl)-1-methyl-piperidin-1-ium-1-carbonyl]amino]hexanoate CAS Name: 2-amino-6-[[[4-(4-chlorophenyl)-1-methyl-1-piperidin-1-iumyl]-oxomethyl]amino]hexanoic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 2-amino-6-[[4-(4-chlorophenyl)-1-methylpiperidin-1-ium-1-carbonyl]amino]hexanoate Traditional Name: 2-amino-6-[[4-(4-chlorophenyl)-1-methyl-piperidin-1-ium-1-carbonyl]amino]hexanoic acid 9H-fluoren-9-ylmethyl ester Formula: C33H39ClN3O3+ MolecularWeight: 561.13406

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C2=CC=C(C=C2)Cl)C(=O)NCCCCC(C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N

Isomeric SMILES

C[N+]1(CCC(CC1)C2=CC=C(C=C2)Cl)C(=O)NCCCCC(C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N

InChI

InChI=1S/C33H38ClN3O3/c1-37(20-17-24(18-21-37)23-13-15-25(34)16-14-23)33(39)36-19-7-6-12-31(35)32(38)40-22-30-28-10-4-2-8-26(28)27-9-3-5-11-29(27)30/h2-5,8-11,13-16,24,30-31H,6-7,12,17-22,35H2,1H3/p+1