(3S)-1-[(6-chloranyl-2H-chromen-3-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: (3S)-1-[(6-chloranyl-2H-chromen-3-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C19H26ClN2O+ MolecularWeight: 333.87554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCCN(C2)CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CC[NH+](C1)[C@H]2CCCN(C2)CC3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C19H25ClN2O/c20-17-5-6-19-16(11-17)10-15(14-23-19)12-21-7-3-4-18(13-21)22-8-1-2-9-22/h5-6,10-11,18H,1-4,7-9,12-14H2/p+1/t18-/m0/s1