1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea

Systemtic Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Openeye Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea CAS Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-3-[3-(1-piperidin-1-iumyl)propyl]urea IUPAC Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Traditional Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Formula: C21H31N4O4+ MolecularWeight: 403.49524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)N[C@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H30N4O4/c26-20-13-16(23-21(27)22-7-4-10-24-8-2-1-3-9-24)15-25(20)17-5-6-18-19(14-17)29-12-11-28-18/h5-6,14,16H,1-4,7-13,15H2,(H2,22,23,27)/p+1/t16-/m0/s1