2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2/c27-22(20-15-21(24-16-20)23(28)26-10-4-5-11-26)17-25-12-8-19(9-13-25)14-18-6-2-1-3-7-18/h1-3,6-7,15-16,19,24H,4-5,8-14,17H2/p+1