1-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]-3-phenyl-urea

Systemtic Name: 1-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]-3-phenyl-urea Openeye Name: 1-[(4S)-1'-methylspiro[chromane-2,4'-piperidin-1-ium]-4-yl]-3-phenyl-urea CAS Name: 1-[(4S)-1'-methyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidin-1-ium]yl]-3-phenylurea IUPAC Name: 1-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]-3-phenylurea Traditional Name: 1-[(4S)-1'-methylspiro[chroman-2,4'-piperidin-1-ium]-4-yl]-3-phenyl-urea Formula: C21H26N3O2+ MolecularWeight: 352.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2(CC1)CC(C3=CC=CC=C3O2)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC2(CC1)C[C@@H](C3=CC=CC=C3O2)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2/c1-24-13-11-21(12-14-24)15-18(17-9-5-6-10-19(17)26-21)23-20(25)22-16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3,(H2,22,23,25)/p+1/t18-/m0/s1