(3-chlorophenyl)-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-chlorophenyl)-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-(5-isoquinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]methanone Formula: C22H22ClN2O+ MolecularWeight: 365.87588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC3=C2C=CN=C3)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC3=C2C=CN=C3)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H21ClN2O/c23-20-8-2-4-16(12-20)22(26)19-7-3-11-25(15-19)14-18-6-1-5-17-13-24-10-9-21(17)18/h1-2,4-6,8-10,12-13,19H,3,7,11,14-15H2/p+1/t19-/m0/s1