(2S)-2-azanyl-4-methyl-pentanoate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium

Systemtic Name: (2S)-2-azanyl-4-methyl-pentanoate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium Openeye Name: (2S)-2-amino-4-methyl-pentanoate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium CAS Name: (2S)-2-amino-4-methylpentanoate; 1-butyl-3-[[(2S)-2-pyrrolidinyl]methyl]imidazol-3-ium IUPAC Name: (2S)-2-amino-4-methylpentanoate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium Traditional Name: (2S)-2-amino-4-methyl-valerate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium Formula: C18H34N4O2 MolecularWeight: 338.48816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC2CCCN2.CC(C)CC(C(=O)[O-])N

Isomeric SMILES

CCCCN1C=C[N+](=C1)C[C@@H]2CCCN2.CC(C)C[C@@H](C(=O)[O-])N

InChI

InChI=1S/C12H22N3.C6H13NO2/c1-2-3-7-14-8-9-15(11-14)10-12-5-4-6-13-12;1-4(2)3-5(7)6(8)9/h8-9,11-13H,2-7,10H2,1H3;4-5H,3,7H2,1-2H3,(H,8,9)/q+1;/p-1/t12-;5-/m00/s1