[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-isoquinolin-1-yl-methanone

Systemtic Name: [(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-isoquinolin-1-yl-methanone Openeye Name: [(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-(1-isoquinolyl)methanone CAS Name: [(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(1-isoquinolinyl)methanone IUPAC Name: [(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone Traditional Name: [(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]-(1-isoquinolyl)methanone Formula: C25H28ClN4O+ MolecularWeight: 435.96902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NC=CC3=CC=CC=C32)[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=NC=CC3=CC=CC=C32)[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H27ClN4O/c26-20-6-3-7-21(17-20)28-13-15-29(16-14-28)22-8-4-12-30(18-22)25(31)24-23-9-2-1-5-19(23)10-11-27-24/h1-3,5-7,9-11,17,22H,4,8,12-16,18H2/p+1/t22-/m0/s1