3-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)propanamide

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)propanamide Traditional Name: 3-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)propionamide Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC[NH+](CC1)CCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H23N3O4/c21-16(7-10-20-8-3-1-2-4-9-20)19-17(22)18-13-5-6-14-15(11-13)24-12-23-14/h5-6,11H,1-4,7-10,12H2,(H2,18,19,21,22)/p+1