N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-(1,3-benzodioxol-5-yl)propanamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-(1,3-benzodioxol-5-yl)propanamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-(1,3-benzodioxol-5-yl)propanamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-3-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-(1,3-benzodioxol-5-yl)propanamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-(1,3-benzodioxol-5-yl)propionamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N3O3S/c24-19(8-6-15-5-7-17-18(11-15)26-14-25-17)22-20-21-16(13-27-20)12-23-9-3-1-2-4-10-23/h5,7,11,13H,1-4,6,8-10,12,14H2,(H,21,22,24)/p+1