N-(1,3-benzodioxol-5-yl)-1-(7-chloranylquinolin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(7-chloranylquinolin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(7-chloroquinolin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(7-chloro-4-quinolin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(7-chloroquinolin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(7-chloroquinolin-1-ium-4-yl)isonipecotamide Formula: C22H21ClN3O3+ MolecularWeight: 410.87344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl

InChI

InChI=1S/C22H20ClN3O3/c23-15-1-3-17-18(11-15)24-8-5-19(17)26-9-6-14(7-10-26)22(27)25-16-2-4-20-21(12-16)29-13-28-20/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,25,27)/p+1