1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]urea

Systemtic Name: 1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]urea Openeye Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea CAS Name: 1-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]urea IUPAC Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea Formula: C22H31N5O2+2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2/c28-22(25-20-8-9-26(17-20)16-18-4-2-1-3-5-18)24-15-19-6-7-21(23-14-19)27-10-12-29-13-11-27/h1-7,14,20H,8-13,15-17H2,(H2,24,25,28)/p+2/t20-/m0/s1