1-(1H-imidazol-2-ylmethyl)-4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-ium

Systemtic Name: 1-(1H-imidazol-2-ylmethyl)-4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-ium Openeye Name: 1-(1H-imidazol-2-ylmethyl)-4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-ium CAS Name: 1-(1H-imidazol-2-ylmethyl)-4-[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]piperidin-1-ium IUPAC Name: 1-(1H-imidazol-2-ylmethyl)-4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-ium Traditional Name: 1-(1H-imidazol-2-ylmethyl)-4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-ium Formula: C21H32N4+2 MolecularWeight: 340.50558

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CC[NH+](C2)CCC3=CC=CC=C3)CC4=NC=CN4

Isomeric SMILES

C1C[NH+](C[C@H]1C2CC[NH+](CC2)CC3=NC=CN3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H30N4/c1-2-4-18(5-3-1)6-12-24-15-9-20(16-24)19-7-13-25(14-8-19)17-21-22-10-11-23-21/h1-5,10-11,19-20H,6-9,12-17H2,(H,22,23)/p+2/t20-/m0/s1