1-[(2S)-5-(diethylamino)pentan-2-yl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine

Systemtic Name: 1-[(2S)-5-(diethylamino)pentan-2-yl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine Openeye Name: 1-[(1S)-4-(diethylamino)-1-methyl-butyl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine CAS Name: 1-[(2S)-5-(diethylamino)pentan-2-yl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine IUPAC Name: 1-[(2S)-5-(diethylamino)pentan-2-yl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine Traditional Name: [(4S)-4-(2-amino-1-pyrrolin-1-ium-1-yl)pentyl]-diethyl-amine Formula: C13H28N3+ MolecularWeight: 226.38152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(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+1/t12-/m0/s1