[(3S)-1-[(6-chloranyl-2H-chromen-3-yl)methyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-[(6-chloranyl-2H-chromen-3-yl)methyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C23H29ClN3O+ MolecularWeight: 398.94886

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)CC3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C23H28ClN3O/c1-26(12-9-21-5-2-3-10-25-21)22-6-4-11-27(16-22)15-18-13-19-14-20(24)7-8-23(19)28-17-18/h2-3,5,7-8,10,13-14,22H,4,6,9,11-12,15-17H2,1H3/p+1/t22-/m0/s1