[(2S,3S)-3-methyl-1-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)amino]-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)amino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)carbamoyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-[[2-methyl-2-(1-pyrrolidin-1-iumyl)propyl]amino]-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-[(2-methyl-2-pyrrolidin-1-ium-1-ylpropyl)amino]-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)carbamoyl]butyl]ammonium Formula: C14H31N3O+2 MolecularWeight: 257.41544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(C)(C)[NH+]1CCCC1)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCC1)[NH3+]

InChI

InChI=1S/C14H29N3O/c1-5-11(2)12(15)13(18)16-10-14(3,4)17-8-6-7-9-17/h11-12H,5-10,15H2,1-4H3,(H,16,18)/p+2/t11-,12-/m0/s1