2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[4-(phenylmethyl)-1-piperidin-1-iumyl]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-16-13-20(17(2)22(16)3)21(24)15-23-11-9-19(10-12-23)14-18-7-5-4-6-8-18/h4-8,13,19H,9-12,14-15H2,1-3H3/p+1