[(3S)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-(3-chloro-4-hydroxy-5-methoxy-benzyl)-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H29ClN3O2+ MolecularWeight: 390.92686

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)CC3=CC(=C(C(=C3)Cl)O)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)CC3=CC(=C(C(=C3)Cl)O)OC

InChI

InChI=1S/C21H28ClN3O2/c1-24(11-8-17-6-3-4-9-23-17)18-7-5-10-25(15-18)14-16-12-19(22)21(26)20(13-16)27-2/h3-4,6,9,12-13,18,26H,5,7-8,10-11,14-15H2,1-2H3/p+1/t18-/m0/s1