[4-(6-chloranylnaphthalen-2-yl)sulfanyl-1-pyridin-4-yl-piperidin-1-ium-1-yl]-piperidin-4-yl-methanone

Systemtic Name: [4-(6-chloranylnaphthalen-2-yl)sulfanyl-1-pyridin-4-yl-piperidin-1-ium-1-yl]-piperidin-4-yl-methanone Openeye Name: [4-[(6-chloro-2-naphthyl)sulfanyl]-1-(4-pyridyl)piperidin-1-ium-1-yl]-(4-piperidyl)methanone CAS Name: [4-[(6-chloro-2-naphthalenyl)thio]-1-pyridin-4-yl-1-piperidin-1-iumyl]-(4-piperidinyl)methanone IUPAC Name: [4-(6-chloronaphthalen-2-yl)sulfanyl-1-pyridin-4-ylpiperidin-1-ium-1-yl]-piperidin-4-ylmethanone Traditional Name: [4-[(6-chloro-2-naphthyl)thio]-1-(4-pyridyl)piperidin-1-ium-1-yl]-(4-piperidyl)methanone Formula: C26H29ClN3OS+ MolecularWeight: 467.04596

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)[N+]2(CCC(CC2)SC3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

C1CNCCC1C(=O)[N+]2(CCC(CC2)SC3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C26H29ClN3OS/c27-22-3-1-21-18-25(4-2-20(21)17-22)32-24-9-15-30(16-10-24,23-7-13-29-14-8-23)26(31)19-5-11-28-12-6-19/h1-4,7-8,13-14,17-19,24,28H,5-6,9-12,15-16H2/q+1