1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(piperidin-1-ium-4-ylmethyl)urea

Systemtic Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(piperidin-1-ium-4-ylmethyl)urea Openeye Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(piperidin-1-ium-4-ylmethyl)urea CAS Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-piperidin-1-iumylmethyl)urea IUPAC Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(piperidin-1-ium-4-ylmethyl)urea Traditional Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(piperidin-1-ium-4-ylmethyl)urea Formula: C16H23N4O2S+ MolecularWeight: 335.44442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)NCC3CC[NH2+]CC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)NCC3CC[NH2+]CC3

InChI

InChI=1S/C16H22N4O2S/c1-2-22-12-3-4-13-14(9-12)23-16(19-13)20-15(21)18-10-11-5-7-17-8-6-11/h3-4,9,11,17H,2,5-8,10H2,1H3,(H2,18,19,20,21)/p+1