(1R,3S)-3-carboxy-1,2,2-trimethyl-cyclopentane-1-carboxylate; (2S,5R)-2,5-dimethyl-1-prop-2-enyl-piperazin-4-ium

Systemtic Name: (1R,3S)-3-carboxy-1,2,2-trimethyl-cyclopentane-1-carboxylate; (2S,5R)-2,5-dimethyl-1-prop-2-enyl-piperazin-4-ium Openeye Name: (2S,5R)-1-allyl-2,5-dimethyl-piperazin-4-ium; (1R,3S)-3-carboxy-1,2,2-trimethyl-cyclopentanecarboxylate CAS Name: (1R,3S)-3-carboxy-1,2,2-trimethyl-1-cyclopentanecarboxylate; (2S,5R)-2,5-dimethyl-1-prop-2-enylpiperazin-4-ium IUPAC Name: (1R,3S)-3-carboxy-1,2,2-trimethylcyclopentane-1-carboxylate; (2S,5R)-2,5-dimethyl-1-prop-2-enylpiperazin-4-ium Traditional Name: (2S,5R)-1-allyl-2,5-dimethyl-piperazin-4-ium; (1R,3S)-3-carboxy-1,2,2-trimethyl-cyclopentanecarboxylate Formula: C19H34N2O4 MolecularWeight: 354.48426

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]C(CN1CC=C)C.CC1(C(CCC1(C)C(=O)[O-])C(=O)O)C

Isomeric SMILES

C[C@H]1C[NH2+][C@@H](CN1CC=C)C.C[C@]1(CC[C@@H](C1(C)C)C(=O)O)C(=O)[O-]

InChI

InChI=1S/C10H16O4.C9H18N2/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14;1-4-5-11-7-8(2)10-6-9(11)3/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14);4,8-10H,1,5-7H2,2-3H3/t6-,10+;8-,9+/m11/s1