[(4S)-4-(5-azanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-(5-azanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)pentyl]-diethyl-azanium Openeye Name: [(4S)-4-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)pentyl]-diethyl-ammonium CAS Name: [(4S)-4-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)pentyl]-diethylammonium IUPAC Name: [(4S)-4-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)pentyl]-diethylazanium Traditional Name: [(4S)-4-(2-amino-1-pyrrolin-1-ium-1-yl)pentyl]-diethyl-ammonium Formula: C13H29N3+2 MolecularWeight: 227.38946

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[N+]1=C(CCC1)N

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[N+]1=C(CCC1)N

InChI

InChI=1S/C13H27N3/c1-4-15(5-2)10-6-8-12(3)16-11-7-9-13(16)14/h12,14H,4-11H2,1-3H3/p+2/t12-/m0/s1