N,N-diethyl-2-[[(6R)-2-oxidanylidene-1-phenethyl-4-(1-propan-2-ylpiperidin-1-ium-4-yl)-1,4-diazepan-4-ium-6-yl]oxy]ethanamide

Systemtic Name: N,N-diethyl-2-[[(6R)-2-oxidanylidene-1-phenethyl-4-(1-propan-2-ylpiperidin-1-ium-4-yl)-1,4-diazepan-4-ium-6-yl]oxy]ethanamide Openeye Name: N,N-diethyl-2-[[(6R)-4-(1-isopropylpiperidin-1-ium-4-yl)-2-oxo-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide CAS Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-(1-propan-2-yl-4-piperidin-1-iumyl)-1,4-diazepan-4-ium-6-yl]oxy]acetamide IUPAC Name: N,N-diethyl-2-[[(6R)-2-oxo-1-phenethyl-4-(1-propan-2-ylpiperidin-1-ium-4-yl)-1,4-diazepan-4-ium-6-yl]oxy]acetamide Traditional Name: N,N-diethyl-2-[[(6R)-4-(1-isopropylpiperidin-1-ium-4-yl)-2-keto-1-phenethyl-1,4-diazepan-4-ium-6-yl]oxy]acetamide Formula: C27H46N4O3+2 MolecularWeight: 474.67914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1C[NH+](CC(=O)N(C1)CCC2=CC=CC=C2)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CCN(CC)C(=O)CO[C@H]1C[NH+](CC(=O)N(C1)CCC2=CC=CC=C2)C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C27H44N4O3/c1-5-28(6-2)27(33)21-34-25-18-30(15-12-23-10-8-7-9-11-23)26(32)20-31(19-25)24-13-16-29(17-14-24)22(3)4/h7-11,22,24-25H,5-6,12-21H2,1-4H3/p+2/t25-/m1/s1