1-[1-(diphenylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[1-(diphenylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[1-(diphenylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-morpholin-4-ium-4-yl-ethanone Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C25H28N2O2/c1-19-17-23(24(28)18-26-13-15-29-16-14-26)20(2)27(19)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17,25H,13-16,18H2,1-2H3/p+1