1-(1,3-benzodioxol-5-yl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(1-piperidin-1-iumylmethyl)phenyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea Formula: C20H24N3O3+ MolecularWeight: 354.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O3/c24-20(22-17-8-9-18-19(12-17)26-14-25-18)21-16-6-4-15(5-7-16)13-23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13-14H2,(H2,21,22,24)/p+1