1-(1H-imidazol-5-yl)pentyl 2-azanyl-4-ethyl-1-oxidanylidene-5-(triphenylmethyl)piperidin-1-ium-2-carboxylate

Systemtic Name: 1-(1H-imidazol-5-yl)pentyl 2-azanyl-4-ethyl-1-oxidanylidene-5-(triphenylmethyl)piperidin-1-ium-2-carboxylate Openeye Name: 1-(1H-imidazol-5-yl)pentyl 2-amino-4-ethyl-1-oxo-5-trityl-piperidin-1-ium-2-carboxylate CAS Name: 2-amino-4-ethyl-1-oxo-5-(triphenylmethyl)-2-piperidin-1-iumcarboxylic acid 1-(1H-imidazol-5-yl)pentyl ester IUPAC Name: 1-(1H-imidazol-5-yl)pentyl 2-amino-4-ethyl-1-oxo-5-tritylpiperidin-1-ium-2-carboxylate Traditional Name: 2-amino-4-ethyl-1-keto-5-trityl-piperidin-1-ium-2-carboxylic acid 1-(1H-imidazol-5-yl)pentyl ester Formula: C35H41N4O3+ MolecularWeight: 565.72504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CN=CN1)OC(=O)C2(CC(C(C[N+]2=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC)N

Isomeric SMILES

CCCCC(C1=CN=CN1)OC(=O)C2(CC(C(C[N+]2=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC)N

InChI

InChI=1S/C35H41N4O3/c1-3-5-21-32(31-23-37-25-38-31)42-33(40)34(36)22-26(4-2)30(24-39(34)41)35(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,23,25-26,30,32H,3-5,21-22,24,36H2,1-2H3,(H,37,38)/q+1