2-methylpiperidine; 3-(prop-2-enoylamino)butane-2-sulfonic acid

Systemtic Name: 2-methylpiperidine; 3-(prop-2-enoylamino)butane-2-sulfonic acid Openeye Name: 2-methylpiperidine; 3-(prop-2-enoylamino)butane-2-sulfonic acid CAS Name: 2-methylpiperidine; 3-(1-oxoprop-2-enylamino)-2-butanesulfonic acid IUPAC Name: 2-methylpiperidine; 3-(prop-2-enoylamino)butane-2-sulfonic acid Traditional Name: 3-acrylamidobutane-2-sulfonic acid; 2-pipecoline Formula: C13H26N2O4S MolecularWeight: 306.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1.CC(C(C)S(=O)(=O)O)NC(=O)C=C

Isomeric SMILES

CC1CCCCN1.CC(C(C)S(=O)(=O)O)NC(=O)C=C

InChI

InChI=1S/C7H13NO4S.C6H13N/c1-4-7(9)8-5(2)6(3)13(10,11)12;1-6-4-2-3-5-7-6/h4-6H,1H2,2-3H3,(H,8,9)(H,10,11,12);6-7H,2-5H2,1H3