(1R,6S)-6-[(4-methylpiperazin-1-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(4-methylpiperazin-1-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(4-methylpiperazin-1-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[(4-methyl-1-piperazinyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(4-methylpiperazin-1-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(4-methylpiperazino)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C13H21N3O3 MolecularWeight: 267.32414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=O)C2CC=CCC2C(=O)O

Isomeric SMILES

CN1CCN(CC1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)O

InChI

InChI=1S/C13H21N3O3/c1-15-6-8-16(9-7-15)14-12(17)10-4-2-3-5-11(10)13(18)19/h2-3,10-11H,4-9H2,1H3,(H,14,17)(H,18,19)/t10-,11+/m0/s1