1-[4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one

Systemtic Name: 1-[4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Openeye Name: 1-[4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one CAS Name: 1-[4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidin-1-iumyl]methyl]phenyl]-2-imidazolidinone IUPAC Name: 1-[4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Traditional Name: 1-[4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]-2-imidazolidinone Formula: C22H27N4O3+ MolecularWeight: 395.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)N3CCNC3=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)N3CCNC3=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H26N4O3/c27-22-23-9-11-26(22)19-6-3-16(4-7-19)13-25-10-1-2-18(14-25)24-17-5-8-20-21(12-17)29-15-28-20/h3-8,12,18,24H,1-2,9-11,13-15H2,(H,23,27)/p+1/t18-/m0/s1