(3S,4S)-1-(2,2-dimethyl-3-morpholin-4-yl-propyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-(2,2-dimethyl-3-morpholin-4-yl-propyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-(2,2-dimethyl-3-morpholino-propyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[2,2-dimethyl-3-(4-morpholinyl)propyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(2,2-dimethyl-3-morpholino-propyl)-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C22H39N5O2+2 MolecularWeight: 405.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CC(C(C1)O)N2CCN(CC2)C3=CC=CC=[NH+]3)CN4CCOCC4

Isomeric SMILES

CC(C)(C[NH+]1C[C@@H]([C@H](C1)O)N2CCN(CC2)C3=CC=CC=[NH+]3)CN4CCOCC4

InChI

InChI=1S/C22H37N5O2/c1-22(2,17-24-11-13-29-14-12-24)18-25-15-19(20(28)16-25)26-7-9-27(10-8-26)21-5-3-4-6-23-21/h3-6,19-20,28H,7-18H2,1-2H3/p+2/t19-,20-/m0/s1