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

Systemtic Name: [4-(6-chloranylnaphthalen-2-yl)sulfanyl-1-piperidin-4-yl-1-pyridin-4-yl-piperidin-1-ium-2-ylidene]methanone Openeye Name: [4-[(6-chloro-2-naphthyl)sulfanyl]-1-(4-piperidyl)-1-(4-pyridyl)piperidin-1-ium-2-ylidene]methanone CAS Name: [4-[(6-chloro-2-naphthalenyl)thio]-1-(4-piperidinyl)-1-pyridin-4-yl-2-piperidin-1-iumylidene]methanone IUPAC Name: [4-(6-chloronaphthalen-2-yl)sulfanyl-1-piperidin-4-yl-1-pyridin-4-ylpiperidin-1-ium-2-ylidene]methanone Traditional Name: [4-[(6-chloro-2-naphthyl)thio]-1-(4-piperidyl)-1-(4-pyridyl)piperidin-1-ium-2-ylidene]methanone Formula: C26H27ClN3OS+ MolecularWeight: 465.03008

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1[N+]2(CCC(CC2=C=O)SC3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

C1CNCCC1[N+]2(CCC(CC2=C=O)SC3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C26H27ClN3OS/c27-21-3-1-20-16-25(4-2-19(20)15-21)32-26-9-14-30(24(17-26)18-31,22-5-10-28-11-6-22)23-7-12-29-13-8-23/h1-6,10-11,15-16,23,26,29H,7-9,12-14,17H2/q+1