3-(diethylamino)-2-[1-[1-(diphenylmethyl)oxyethyl]piperidin-1-ium-1-yl]butanamide

Systemtic Name: 3-(diethylamino)-2-[1-[1-(diphenylmethyl)oxyethyl]piperidin-1-ium-1-yl]butanamide Openeye Name: 2-[1-(1-benzhydryloxyethyl)piperidin-1-ium-1-yl]-3-(diethylamino)butanamide CAS Name: 3-(diethylamino)-2-[1-[1-(diphenylmethyl)oxyethyl]-1-piperidin-1-iumyl]butanamide IUPAC Name: 2-[1-(1-benzhydryloxyethyl)piperidin-1-ium-1-yl]-3-(diethylamino)butanamide Traditional Name: 2-[1-(1-benzhydryloxyethyl)piperidin-1-ium-1-yl]-3-(diethylamino)butyramide Formula: C28H42N3O2+ MolecularWeight: 452.65198

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)C(C(=O)N)[N+]1(CCCCC1)C(C)OC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(C)C(C(=O)N)[N+]1(CCCCC1)C(C)OC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H41N3O2/c1-5-30(6-2)22(3)26(28(29)32)31(20-14-9-15-21-31)23(4)33-27(24-16-10-7-11-17-24)25-18-12-8-13-19-25/h7-8,10-13,16-19,22-23,26-27H,5-6,9,14-15,20-21H2,1-4H3,(H-,29,32)/p+1