N-morpholin-4-yl-3-[(3S,4R)-1-(phenylmethyl)-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-morpholin-4-yl-3-[(3S,4R)-1-(phenylmethyl)-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]propanamide Openeye Name: 3-[(3S,4R)-1-benzyl-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]-N-morpholino-propanamide CAS Name: N-(4-morpholinyl)-3-[(3S,4R)-1-(phenylmethyl)-4-(1-pyrrolidin-1-iumyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-[(3S,4R)-1-benzyl-4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-3-yl]-N-morpholin-4-ylpropanamide Traditional Name: 3-[(3S,4R)-1-benzyl-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]-N-morpholino-propionamide Formula: C23H38N4O2+2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CC[NH+](CC2CCC(=O)NN3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H]2CC[NH+](C[C@@H]2CCC(=O)NN3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H36N4O2/c28-23(24-27-14-16-29-17-15-27)9-8-21-19-25(18-20-6-2-1-3-7-20)13-10-22(21)26-11-4-5-12-26/h1-3,6-7,21-22H,4-5,8-19H2,(H,24,28)/p+2/t21-,22+/m0/s1