2,3-dimethyl-1H-azepine; (pent-4-enoylamino) sulfite

Systemtic Name: 2,3-dimethyl-1H-azepine; (pent-4-enoylamino) sulfite Openeye Name: 2,3-dimethyl-1H-azepine; (pent-4-enoylamino) sulfite CAS Name: 2,3-dimethyl-1H-azepine; (1-oxopent-4-enylamino) sulfite IUPAC Name: 2,3-dimethyl-1H-azepine; (pent-4-enoylamino) sulfite Traditional Name: 2,3-dimethyl-1H-azepine; (pent-4-enoylamino) sulfite Formula: C13H19N2O4S- MolecularWeight: 299.36596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC=CC=C1)C.C=CCCC(=O)NOS(=O)[O-]

Isomeric SMILES

CC1=C(NC=CC=C1)C.C=CCCC(=O)NOS(=O)[O-]

InChI

InChI=1S/C8H11N.C5H9NO4S/c1-7-5-3-4-6-9-8(7)2;1-2-3-4-5(7)6-10-11(8)9/h3-6,9H,1-2H3;2H,1,3-4H2,(H,6,7)(H,8,9)/p-1