N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C22H32N5O+3 MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O/c28-22(18-25-12-14-27(15-13-25)21-8-4-5-10-23-21)24-20-9-11-26(17-20)16-19-6-2-1-3-7-19/h1-8,10,20H,9,11-18H2,(H,24,28)/p+3/t20-/m1/s1